4-(2-methyl-1H-indol-3-yl)-2-pyridin-3-yl-1,3-thiazole

C17H13N3S — CID 711832

IUPAC4-(2-methyl-1H-indol-3-yl)-2-pyridin-3-yl-1,3-thiazole
SMILESCc1[nH]c2ccccc2c1-c1csc(-c2cccnc2)n1
InChIInChI=1S/C17H13N3S/c1-11-16(13-6-2-3-7-14(13)19-11)15-10-21-17(20-15)12-5-4-8-18-9-12/h2-10,19H,1H3
InChIKeyNSXHLLAABIVWMP-UHFFFAOYSA-N
MW291.38 g/mol
LogP4.66
Rot. Bonds2

About 4-(2-methyl-1H-indol-3-yl)-2-pyridin-3-yl-1,3-thiazole

4-(2-methyl-1H-indol-3-yl)-2-pyridin-3-yl-1,3-thiazole (PubChem CID 711832) has the molecular formula C17H13N3S and a molecular weight of 291.38 g/mol. Its IUPAC name is 4-(2-methyl-1H-indol-3-yl)-2-pyridin-3-yl-1,3-thiazole.

Molecular Properties

Compound Name4-(2-methyl-1H-indol-3-yl)-2-pyridin-3-yl-1,3-thiazole
PubChem CID711832
Molecular FormulaC17H13N3S
Molecular Weight291.38 g/mol
Exact Mass291.08
IUPAC Name4-(2-methyl-1H-indol-3-yl)-2-pyridin-3-yl-1,3-thiazole
SMILESCc1[nH]c2ccccc2c1-c1csc(-c2cccnc2)n1
InChIInChI=1S/C17H13N3S/c1-11-16(13-6-2-3-7-14(13)19-11)15-10-21-17(20-15)12-5-4-8-18-9-12/h2-10,19H,1H3
InChIKeyNSXHLLAABIVWMP-UHFFFAOYSA-N
XLogP4.66
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.38
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Camalexin
CID 636970
Indole, 3-(N-2-thiazolylformimidoyl)-
CID 135403056
Tiomergine
CID 9884658
3-[5-(thiophen-3-yl)pyridin-3-yl]-1H-indole
CID 5329361
dimethyl(2-{3-[5-(thiophen-3-yl)pyridin-3-yl]-1H-indol-1-yl}ethyl)amine
CID 5329362
1-[3-(piperidin-1-yl)propyl]-3-[5-(thiophen-3-yl)pyridin-3-yl]-1H-indole
CID 5329365
1-[3-(4-methylpiperazin-1-yl)propyl]-3-[5-(thiophen-3-yl)pyridin-3-yl]-1H-indole
CID 5329366
dimethyl(3-{3-[5-(thiophen-3-yl)pyridin-3-yl]-1H-indol-1-yl}propyl)amine
CID 5329367
3-(5-Thien-3-ylpyridin-3-yl)-1Hindole 3h
CID 5329368
2-(5-Thiophen-2-yl-1H-indol-3-yl)-ethylamine
CID 10198700
1-[2-(1H-Indol-3-yl)-ethyl]-3-thiazol-2-yl-thiourea
CID 9857574
(1H-Indol-5-yl)-(2-thiophen-2-yl-thieno[3,2-b]pyridin-7-yl)-amine
CID 9884654

Frequently Asked Questions

What is the IUPAC name of 4-(2-methyl-1H-indol-3-yl)-2-pyridin-3-yl-1,3-thiazole?
The IUPAC name of 4-(2-methyl-1H-indol-3-yl)-2-pyridin-3-yl-1,3-thiazole (CID 711832) is 4-(2-methyl-1H-indol-3-yl)-2-pyridin-3-yl-1,3-thiazole.
What is the SMILES notation for 4-(2-methyl-1H-indol-3-yl)-2-pyridin-3-yl-1,3-thiazole?
The canonical SMILES for 4-(2-methyl-1H-indol-3-yl)-2-pyridin-3-yl-1,3-thiazole is Cc1[nH]c2ccccc2c1-c1csc(-c2cccnc2)n1.
What is the InChIKey of 4-(2-methyl-1H-indol-3-yl)-2-pyridin-3-yl-1,3-thiazole?
The InChIKey is NSXHLLAABIVWMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13N3S/c1-11-16(13-6-2-3-7-14(13)19-11)15-10-21-17(20-15)12-5-4-8-18-9-12/h2-10,19H,1H3.
What are the key properties of 4-(2-methyl-1H-indol-3-yl)-2-pyridin-3-yl-1,3-thiazole?
4-(2-methyl-1H-indol-3-yl)-2-pyridin-3-yl-1,3-thiazole has a molecular weight of 291.38 g/mol, XLogP of 4.66, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methyl-1H-indol-3-yl)-2-pyridin-3-yl-1,3-thiazole is sourced from PubChem (CID 711832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).