N-(1H-indol-5-ylmethyl)-2-methyl-1,3-benzothiazol-6-amine

C17H15N3S — CID 102909567

IUPACN-(1H-indol-5-ylmethyl)-2-methyl-1,3-benzothiazol-6-amine
SMILESCc1nc2ccc(NCc3ccc4[nH]ccc4c3)cc2s1
InChIInChI=1S/C17H15N3S/c1-11-20-16-5-3-14(9-17(16)21-11)19-10-12-2-4-15-13(8-12)6-7-18-15/h2-9,18-19H,10H2,1H3
InChIKeyUVWZGTUQFLZQFB-UHFFFAOYSA-N
MW293.40 g/mol
LogP4.70
Rot. Bonds3

About N-(1H-indol-5-ylmethyl)-2-methyl-1,3-benzothiazol-6-amine

N-(1H-indol-5-ylmethyl)-2-methyl-1,3-benzothiazol-6-amine (PubChem CID 102909567) has the molecular formula C17H15N3S and a molecular weight of 293.40 g/mol. Its IUPAC name is N-(1H-indol-5-ylmethyl)-2-methyl-1,3-benzothiazol-6-amine.

Molecular Properties

Compound NameN-(1H-indol-5-ylmethyl)-2-methyl-1,3-benzothiazol-6-amine
PubChem CID102909567
Molecular FormulaC17H15N3S
Molecular Weight293.40 g/mol
Exact Mass293.10
IUPAC NameN-(1H-indol-5-ylmethyl)-2-methyl-1,3-benzothiazol-6-amine
SMILESCc1nc2ccc(NCc3ccc4[nH]ccc4c3)cc2s1
InChIInChI=1S/C17H15N3S/c1-11-20-16-5-3-14(9-17(16)21-11)19-10-12-2-4-15-13(8-12)6-7-18-15/h2-9,18-19H,10H2,1H3
InChIKeyUVWZGTUQFLZQFB-UHFFFAOYSA-N
XLogP4.70
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.40
LogP ≤ 54.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

Camalexin
CID 636970
Propyl-(6,7,8,9-tetrahydro-3H-benzo[e]indol-8-yl)-(2-thiophen-2-yl-ethyl)-amine
CID 10382523
3-[5-(thiophen-3-yl)pyridin-3-yl]-1H-indole
CID 5329361
2-(5-Thiophen-2-yl-1H-indol-3-yl)-ethylamine
CID 10198700
Dimethyl-[2-(5-thiophen-2-yl-1H-indol-3-yl)-ethyl]-amine
CID 11402988
Dimethyl-[2-(5-thiophen-3-yl-1H-indol-3-yl)-ethyl]-amine
CID 44214329
2-((1H-indol-3-yl)thio)aniline
CID 693281
1H-Indole, 3-(2-pyridin-3-yl-thiazol-4-yl)-
CID 711817
3-[2-(pyridin-4-yl)-1,3-thiazol-4-yl]-1H-indole
CID 711829
1H-Indole, 3-[4-(1H-indol-3-yl)-2-thiazolyl]-
CID 396206
4-(1H-indol-3-ylmethyl)-1,3-thiazole
CID 11528610
3-[phenyl(thiophen-2-yl)methyl]-1H-indole
CID 10859200

Frequently Asked Questions

What is the IUPAC name of N-(1H-indol-5-ylmethyl)-2-methyl-1,3-benzothiazol-6-amine?
The IUPAC name of N-(1H-indol-5-ylmethyl)-2-methyl-1,3-benzothiazol-6-amine (CID 102909567) is N-(1H-indol-5-ylmethyl)-2-methyl-1,3-benzothiazol-6-amine.
What is the SMILES notation for N-(1H-indol-5-ylmethyl)-2-methyl-1,3-benzothiazol-6-amine?
The canonical SMILES for N-(1H-indol-5-ylmethyl)-2-methyl-1,3-benzothiazol-6-amine is Cc1nc2ccc(NCc3ccc4[nH]ccc4c3)cc2s1.
What is the InChIKey of N-(1H-indol-5-ylmethyl)-2-methyl-1,3-benzothiazol-6-amine?
The InChIKey is UVWZGTUQFLZQFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3S/c1-11-20-16-5-3-14(9-17(16)21-11)19-10-12-2-4-15-13(8-12)6-7-18-15/h2-9,18-19H,10H2,1H3.
What are the key properties of N-(1H-indol-5-ylmethyl)-2-methyl-1,3-benzothiazol-6-amine?
N-(1H-indol-5-ylmethyl)-2-methyl-1,3-benzothiazol-6-amine has a molecular weight of 293.40 g/mol, XLogP of 4.70, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-indol-5-ylmethyl)-2-methyl-1,3-benzothiazol-6-amine is sourced from PubChem (CID 102909567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).