5-methyl-1,2-benzothiazol-3-amine;6-methyl-1,2-benzothiazol-3-amine;6-methyl-1,2-benzoxazol-3-amine;2-methylfuro[2,3-c]pyridin-7-amine;2-methylfuro[3,2-c]pyridin-4-amine;2-methyl-1H-imidazo[4,5-c]pyridin-4-amine;2-methyl-1H-indol-7-amine;5-methyl-3H-isoindol-1-amine;6-methyl-3H-isoindol-1-amine;2-methyl-1H-pyrrolo[3,2-c]pyridin-4-amine;2-methylthieno[2,3-c]pyridin-7-amine;2-methylthieno[3,2-c]pyridin-4-amine — IUPAC name, SMILES, InChIKey & properties

Name: 5-methyl-1,2-benzothiazol-3-amine;6-methyl-1,2-benzothiazol-3-amine;6-methyl-1,2-benzoxazol-3-amine;2-methylfuro[2,3-c]pyridin-7-amine;2-methylfuro[3,2-c]pyridin-4-amine;2-methyl-1H-imidazo[4,5-c]pyridin-4-amine;2-methyl-1H-indol-7-amine;5-methyl-3H-isoindol-1-amine;6-methyl-3H-isoindol-1-amine;2-methyl-1H-pyrrolo[3,2-c]pyridin-4-amine;2-methylthieno[2,3-c]pyridin-7-amine;2-methylthieno[3,2-c]pyridin-4-amine — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

About 5-methyl-1,2-benzothiazol-3-amine;6-methyl-1,2-benzothiazol-3-amine;6-methyl-1,2-benzoxazol-3-amine;2-methylfuro[2,3-c]pyridin-7-amine;2-methylfuro[3,2-c]pyridin-4-amine;2-methyl-1H-imidazo[4,5-c]pyridin-4-amine;2-methyl-1H-indol-7-amine;5-methyl-3H-isoindol-1-amine;6-methyl-3H-isoindol-1-amine;2-methyl-1H-pyrrolo[3,2-c]pyridin-4-amine;2-methylthieno[2,3-c]pyridin-7-amine;2-methylthieno[3,2-c]pyridin-4-amine

5-methyl-1,2-benzothiazol-3-amine;6-methyl-1,2-benzothiazol-3-amine;6-methyl-1,2-benzoxazol-3-amine;2-methylfuro[2,3-c]pyridin-7-amine;2-methylfuro[3,2-c]pyridin-4-amine;2-methyl-1H-imidazo[4,5-c]pyridin-4-amine;2-methyl-1H-indol-7-amine;5-methyl-3H-isoindol-1-amine;6-methyl-3H-isoindol-1-amine;2-methyl-1H-pyrrolo[3,2-c]pyridin-4-amine;2-methylthieno[2,3-c]pyridin-7-amine;2-methylthieno[3,2-c]pyridin-4-amine (PubChem CID 160719450) has the molecular formula C98H103N27O3S4 and a molecular weight of 1835.36 g/mol. Its IUPAC name is 5-methyl-1,2-benzothiazol-3-amine;6-methyl-1,2-benzothiazol-3-amine;6-methyl-1,2-benzoxazol-3-amine;2-methylfuro[2,3-c]pyridin-7-amine;2-methylfuro[3,2-c]pyridin-4-amine;2-methyl-1H-imidazo[4,5-c]pyridin-4-amine;2-methyl-1H-indol-7-amine;5-methyl-3H-isoindol-1-amine;6-methyl-3H-isoindol-1-amine;2-methyl-1H-pyrrolo[3,2-c]pyridin-4-amine;2-methylthieno[2,3-c]pyridin-7-amine;2-methylthieno[3,2-c]pyridin-4-amine.

Molecular Properties

Compound Name	5-methyl-1,2-benzothiazol-3-amine;6-methyl-1,2-benzothiazol-3-amine;6-methyl-1,2-benzoxazol-3-amine;2-methylfuro[2,3-c]pyridin-7-amine;2-methylfuro[3,2-c]pyridin-4-amine;2-methyl-1H-imidazo[4,5-c]pyridin-4-amine;2-methyl-1H-indol-7-amine;5-methyl-3H-isoindol-1-amine;6-methyl-3H-isoindol-1-amine;2-methyl-1H-pyrrolo[3,2-c]pyridin-4-amine;2-methylthieno[2,3-c]pyridin-7-amine;2-methylthieno[3,2-c]pyridin-4-amine
PubChem CID	160719450
Molecular Formula	C98H103N27O3S4
Molecular Weight	1835.36 g/mol
Exact Mass	1833.76
IUPAC Name	5-methyl-1,2-benzothiazol-3-amine;6-methyl-1,2-benzothiazol-3-amine;6-methyl-1,2-benzoxazol-3-amine;2-methylfuro[2,3-c]pyridin-7-amine;2-methylfuro[3,2-c]pyridin-4-amine;2-methyl-1H-imidazo[4,5-c]pyridin-4-amine;2-methyl-1H-indol-7-amine;5-methyl-3H-isoindol-1-amine;6-methyl-3H-isoindol-1-amine;2-methyl-1H-pyrrolo[3,2-c]pyridin-4-amine;2-methylthieno[2,3-c]pyridin-7-amine;2-methylthieno[3,2-c]pyridin-4-amine
SMILES	Cc1cc2c(N)nccc2[nH]1.Cc1cc2c(N)nccc2o1.Cc1cc2c(N)nccc2s1.Cc1cc2cccc(N)c2[nH]1.Cc1cc2ccnc(N)c2o1.Cc1cc2ccnc(N)c2s1.Cc1ccc2c(N)noc2c1.Cc1ccc2c(N)nsc2c1.Cc1ccc2c(c1)C(N)=NC2.Cc1ccc2c(c1)CN=C2N.Cc1ccc2snc(N)c2c1.Cc1nc2c(N)nccc2[nH]1
InChI	InChI=1S/3C9H10N2.C8H9N3.3C8H8N2O.4C8H8N2S.C7H8N4/c1-6-2-3-8-7(4-6)5-11-9(8)10;1-6-2-3-7-5-11-9(10)8(7)4-6;1-6-5-7-3-2-4-8(10)9(7)11-6;21-5-4-6-7(11-5)2-3-10-8(6)9;1-5-4-6-2-3-10-8(9)7(6)11-5;1-5-2-3-6-7(4-5)11-10-8(6)9;1-5-4-6-7(11-5)2-3-10-8(6)9;1-5-4-6-2-3-10-8(9)7(6)11-5;1-5-2-3-7-6(4-5)8(9)10-11-7;1-5-2-3-6-7(4-5)11-10-8(6)9;1-4-10-5-2-3-9-7(8)6(5)11-4/h22-4H,5H2,1H3,(H2,10,11);2-5,11H,10H2,1H3;2-4,11H,1H3,(H2,9,10);7*2-4H,1H3,(H2,9,10);2-3H,1H3,(H2,8,9)(H,10,11)
InChIKey	RSXFELWPVWHWBE-UHFFFAOYSA-N
XLogP	20.69
TPSA	552.65 Å²
H-Bond Donors	15
H-Bond Acceptors	31
Rotatable Bonds
Heavy Atoms	132
Complexity	—

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1835.36
LogP ≤ 5	20.69
H-Bond Donors ≤ 5	15
H-Bond Acceptors ≤ 10	31

Computed Properties (RDKit)

Structural Alerts	{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 5-methyl-1,2-benzothiazol-3-amine;6-methyl-1,2-benzothiazol-3-amine;6-methyl-1,2-benzoxazol-3-amine;2-methylfuro[2,3-c]pyridin-7-amine;2-methylfuro[3,2-c]pyridin-4-amine;2-methyl-1H-imidazo[4,5-c]pyridin-4-amine;2-methyl-1H-indol-7-amine;5-methyl-3H-isoindol-1-amine;6-methyl-3H-isoindol-1-amine;2-methyl-1H-pyrrolo[3,2-c]pyridin-4-amine;2-methylthieno[2,3-c]pyridin-7-amine;2-methylthieno[3,2-c]pyridin-4-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-1,2-benzothiazol-3-amine;6-methyl-1,2-benzothiazol-3-amine;6-methyl-1,2-benzoxazol-3-amine;2-methylfuro[2,3-c]pyridin-7-amine;2-methylfuro[3,2-c]pyridin-4-amine;2-methyl-1H-imidazo[4,5-c]pyridin-4-amine;2-methyl-1H-indol-7-amine;5-methyl-3H-isoindol-1-amine;6-methyl-3H-isoindol-1-amine;2-methyl-1H-pyrrolo[3,2-c]pyridin-4-amine;2-methylthieno[2,3-c]pyridin-7-amine;2-methylthieno[3,2-c]pyridin-4-amine?

The IUPAC name of 5-methyl-1,2-benzothiazol-3-amine;6-methyl-1,2-benzothiazol-3-amine;6-methyl-1,2-benzoxazol-3-amine;2-methylfuro[2,3-c]pyridin-7-amine;2-methylfuro[3,2-c]pyridin-4-amine;2-methyl-1H-imidazo[4,5-c]pyridin-4-amine;2-methyl-1H-indol-7-amine;5-methyl-3H-isoindol-1-amine;6-methyl-3H-isoindol-1-amine;2-methyl-1H-pyrrolo[3,2-c]pyridin-4-amine;2-methylthieno[2,3-c]pyridin-7-amine;2-methylthieno[3,2-c]pyridin-4-amine (CID 160719450) is 5-methyl-1,2-benzothiazol-3-amine;6-methyl-1,2-benzothiazol-3-amine;6-methyl-1,2-benzoxazol-3-amine;2-methylfuro[2,3-c]pyridin-7-amine;2-methylfuro[3,2-c]pyridin-4-amine;2-methyl-1H-imidazo[4,5-c]pyridin-4-amine;2-methyl-1H-indol-7-amine;5-methyl-3H-isoindol-1-amine;6-methyl-3H-isoindol-1-amine;2-methyl-1H-pyrrolo[3,2-c]pyridin-4-amine;2-methylthieno[2,3-c]pyridin-7-amine;2-methylthieno[3,2-c]pyridin-4-amine.

What is the SMILES notation for 5-methyl-1,2-benzothiazol-3-amine;6-methyl-1,2-benzothiazol-3-amine;6-methyl-1,2-benzoxazol-3-amine;2-methylfuro[2,3-c]pyridin-7-amine;2-methylfuro[3,2-c]pyridin-4-amine;2-methyl-1H-imidazo[4,5-c]pyridin-4-amine;2-methyl-1H-indol-7-amine;5-methyl-3H-isoindol-1-amine;6-methyl-3H-isoindol-1-amine;2-methyl-1H-pyrrolo[3,2-c]pyridin-4-amine;2-methylthieno[2,3-c]pyridin-7-amine;2-methylthieno[3,2-c]pyridin-4-amine?

The canonical SMILES for 5-methyl-1,2-benzothiazol-3-amine;6-methyl-1,2-benzothiazol-3-amine;6-methyl-1,2-benzoxazol-3-amine;2-methylfuro[2,3-c]pyridin-7-amine;2-methylfuro[3,2-c]pyridin-4-amine;2-methyl-1H-imidazo[4,5-c]pyridin-4-amine;2-methyl-1H-indol-7-amine;5-methyl-3H-isoindol-1-amine;6-methyl-3H-isoindol-1-amine;2-methyl-1H-pyrrolo[3,2-c]pyridin-4-amine;2-methylthieno[2,3-c]pyridin-7-amine;2-methylthieno[3,2-c]pyridin-4-amine is Cc1cc2c(N)nccc2[nH]1.Cc1cc2c(N)nccc2o1.Cc1cc2c(N)nccc2s1.Cc1cc2cccc(N)c2[nH]1.Cc1cc2ccnc(N)c2o1.Cc1cc2ccnc(N)c2s1.Cc1ccc2c(N)noc2c1.Cc1ccc2c(N)nsc2c1.Cc1ccc2c(c1)C(N)=NC2.Cc1ccc2c(c1)CN=C2N.Cc1ccc2snc(N)c2c1.Cc1nc2c(N)nccc2[nH]1.

What is the InChIKey of 5-methyl-1,2-benzothiazol-3-amine;6-methyl-1,2-benzothiazol-3-amine;6-methyl-1,2-benzoxazol-3-amine;2-methylfuro[2,3-c]pyridin-7-amine;2-methylfuro[3,2-c]pyridin-4-amine;2-methyl-1H-imidazo[4,5-c]pyridin-4-amine;2-methyl-1H-indol-7-amine;5-methyl-3H-isoindol-1-amine;6-methyl-3H-isoindol-1-amine;2-methyl-1H-pyrrolo[3,2-c]pyridin-4-amine;2-methylthieno[2,3-c]pyridin-7-amine;2-methylthieno[3,2-c]pyridin-4-amine?

The InChIKey is RSXFELWPVWHWBE-UHFFFAOYSA-N. The full InChI is InChI=1S/3C9H10N2.C8H9N3.3C8H8N2O.4C8H8N2S.C7H8N4/c1-6-2-3-8-7(4-6)5-11-9(8)10;1-6-2-3-7-5-11-9(10)8(7)4-6;1-6-5-7-3-2-4-8(10)9(7)11-6;2*1-5-4-6-7(11-5)2-3-10-8(6)9;1-5-4-6-2-3-10-8(9)7(6)11-5;1-5-2-3-6-7(4-5)11-10-8(6)9;1-5-4-6-7(11-5)2-3-10-8(6)9;1-5-4-6-2-3-10-8(9)7(6)11-5;1-5-2-3-7-6(4-5)8(9)10-11-7;1-5-2-3-6-7(4-5)11-10-8(6)9;1-4-10-5-2-3-9-7(8)6(5)11-4/h2*2-4H,5H2,1H3,(H2,10,11);2-5,11H,10H2,1H3;2-4,11H,1H3,(H2,9,10);7*2-4H,1H3,(H2,9,10);2-3H,1H3,(H2,8,9)(H,10,11).

What are the key properties of 5-methyl-1,2-benzothiazol-3-amine;6-methyl-1,2-benzothiazol-3-amine;6-methyl-1,2-benzoxazol-3-amine;2-methylfuro[2,3-c]pyridin-7-amine;2-methylfuro[3,2-c]pyridin-4-amine;2-methyl-1H-imidazo[4,5-c]pyridin-4-amine;2-methyl-1H-indol-7-amine;5-methyl-3H-isoindol-1-amine;6-methyl-3H-isoindol-1-amine;2-methyl-1H-pyrrolo[3,2-c]pyridin-4-amine;2-methylthieno[2,3-c]pyridin-7-amine;2-methylthieno[3,2-c]pyridin-4-amine?

Where does this data come from?

All data for 5-methyl-1,2-benzothiazol-3-amine;6-methyl-1,2-benzothiazol-3-amine;6-methyl-1,2-benzoxazol-3-amine;2-methylfuro[2,3-c]pyridin-7-amine;2-methylfuro[3,2-c]pyridin-4-amine;2-methyl-1H-imidazo[4,5-c]pyridin-4-amine;2-methyl-1H-indol-7-amine;5-methyl-3H-isoindol-1-amine;6-methyl-3H-isoindol-1-amine;2-methyl-1H-pyrrolo[3,2-c]pyridin-4-amine;2-methylthieno[2,3-c]pyridin-7-amine;2-methylthieno[3,2-c]pyridin-4-amine is sourced from PubChem (CID 160719450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).