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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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).