6-N-(1-thiophen-2-ylpropyl)-1H-indazole-5,6-diamine

C14H16N4S — CID 107489486

IUPAC6-N-(1-thiophen-2-ylpropyl)-1H-indazole-5,6-diamine
SMILESCCC(Nc1cc2[nH]ncc2cc1N)c1cccs1
InChIInChI=1S/C14H16N4S/c1-2-11(14-4-3-5-19-14)17-13-7-12-9(6-10(13)15)8-16-18-12/h3-8,11,17H,2,15H2,1H3,(H,16,18)
InChIKeyPUMOINPUWAKBPG-UHFFFAOYSA-N
MW272.38 g/mol
LogP3.77
Rot. Bonds4

About 6-N-(1-thiophen-2-ylpropyl)-1H-indazole-5,6-diamine

6-N-(1-thiophen-2-ylpropyl)-1H-indazole-5,6-diamine (PubChem CID 107489486) has the molecular formula C14H16N4S and a molecular weight of 272.38 g/mol. Its IUPAC name is 6-N-(1-thiophen-2-ylpropyl)-1H-indazole-5,6-diamine.

Molecular Properties

Compound Name6-N-(1-thiophen-2-ylpropyl)-1H-indazole-5,6-diamine
PubChem CID107489486
Molecular FormulaC14H16N4S
Molecular Weight272.38 g/mol
Exact Mass272.11
IUPAC Name6-N-(1-thiophen-2-ylpropyl)-1H-indazole-5,6-diamine
SMILESCCC(Nc1cc2[nH]ncc2cc1N)c1cccs1
InChIInChI=1S/C14H16N4S/c1-2-11(14-4-3-5-19-14)17-13-7-12-9(6-10(13)15)8-16-18-12/h3-8,11,17H,2,15H2,1H3,(H,16,18)
InChIKeyPUMOINPUWAKBPG-UHFFFAOYSA-N
XLogP3.77
TPSA66.73 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.38
LogP ≤ 53.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-bromo-2-N-(1-thiophen-2-ylpropyl)benzene-1,2-diamine
CID 65343285
5-bromo-4-(1-thiophen-2-ylpropylamino)-1H-pyridazin-6-one
CID 114386015
3-amino-N-methyl-4-(1-thiophen-2-ylpropylamino)benzamide
CID 82988987
6-N-[1-(5-chlorothiophen-2-yl)ethyl]-1H-indazole-5,6-diamine
CID 107489383
N-(1-thiophen-2-ylbutyl)-1H-indazole-6-carboxamide
CID 62907370
3-[(5-amino-1H-indazol-6-yl)amino]-4-methylpentan-1-ol
CID 114176711
6-N-(2-aminoethyl)-1H-indazole-5,6-diamine
CID 107490038
6-N-[1-(1H-pyrazol-4-yl)ethyl]-1H-indazole-5,6-diamine
CID 114159574
5-methoxy-2-methyl-N-(1-thiophen-2-ylpropyl)pyridin-4-amine
CID 106660407
6-N-(1-pyrrolidin-1-ylpropan-2-yl)-1H-indazole-5,6-diamine
CID 107489402
6-N-[5-(diethylamino)pentan-2-yl]-1H-indazole-5,6-diamine
CID 107488380
2-(difluoromethyl)-1-N-(1-thiophen-2-ylpropyl)benzene-1,4-diamine
CID 63734094

Frequently Asked Questions

What is the IUPAC name of 6-N-(1-thiophen-2-ylpropyl)-1H-indazole-5,6-diamine?
The IUPAC name of 6-N-(1-thiophen-2-ylpropyl)-1H-indazole-5,6-diamine (CID 107489486) is 6-N-(1-thiophen-2-ylpropyl)-1H-indazole-5,6-diamine.
What is the SMILES notation for 6-N-(1-thiophen-2-ylpropyl)-1H-indazole-5,6-diamine?
The canonical SMILES for 6-N-(1-thiophen-2-ylpropyl)-1H-indazole-5,6-diamine is CCC(Nc1cc2[nH]ncc2cc1N)c1cccs1.
What is the InChIKey of 6-N-(1-thiophen-2-ylpropyl)-1H-indazole-5,6-diamine?
The InChIKey is PUMOINPUWAKBPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4S/c1-2-11(14-4-3-5-19-14)17-13-7-12-9(6-10(13)15)8-16-18-12/h3-8,11,17H,2,15H2,1H3,(H,16,18).
What are the key properties of 6-N-(1-thiophen-2-ylpropyl)-1H-indazole-5,6-diamine?
6-N-(1-thiophen-2-ylpropyl)-1H-indazole-5,6-diamine has a molecular weight of 272.38 g/mol, XLogP of 3.77, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-(1-thiophen-2-ylpropyl)-1H-indazole-5,6-diamine is sourced from PubChem (CID 107489486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).