N-(2-methyl-1H-indol-5-yl)-2-pyrimidin-2-yl-1,3-thiazole-4-carboxamide

C17H13N5OS — CID 51085227

IUPACN-(2-methyl-1H-indol-5-yl)-2-pyrimidin-2-yl-1,3-thiazole-4-carboxamide
SMILESCc1cc2cc(NC(=O)c3csc(-c4ncccn4)n3)ccc2[nH]1
InChIInChI=1S/C17H13N5OS/c1-10-7-11-8-12(3-4-13(11)20-10)21-16(23)14-9-24-17(22-14)15-18-5-2-6-19-15/h2-9,20H,1H3,(H,21,23)
InChIKeyLNNYMVBALWJSFU-UHFFFAOYSA-N
MW335.39 g/mol
LogP3.64
Rot. Bonds3

About N-(2-methyl-1H-indol-5-yl)-2-pyrimidin-2-yl-1,3-thiazole-4-carboxamide

N-(2-methyl-1H-indol-5-yl)-2-pyrimidin-2-yl-1,3-thiazole-4-carboxamide (PubChem CID 51085227) has the molecular formula C17H13N5OS and a molecular weight of 335.39 g/mol. Its IUPAC name is N-(2-methyl-1H-indol-5-yl)-2-pyrimidin-2-yl-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-(2-methyl-1H-indol-5-yl)-2-pyrimidin-2-yl-1,3-thiazole-4-carboxamide
PubChem CID51085227
Molecular FormulaC17H13N5OS
Molecular Weight335.39 g/mol
Exact Mass335.08
IUPAC NameN-(2-methyl-1H-indol-5-yl)-2-pyrimidin-2-yl-1,3-thiazole-4-carboxamide
SMILESCc1cc2cc(NC(=O)c3csc(-c4ncccn4)n3)ccc2[nH]1
InChIInChI=1S/C17H13N5OS/c1-10-7-11-8-12(3-4-13(11)20-10)21-16(23)14-9-24-17(22-14)15-18-5-2-6-19-15/h2-9,20H,1H3,(H,21,23)
InChIKeyLNNYMVBALWJSFU-UHFFFAOYSA-N
XLogP3.64
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.39
LogP ≤ 53.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-acetylphenyl)-2-pyrimidin-2-yl-1,3-thiazole-4-carboxamide
CID 60529832
1-(2-methyl-1H-indol-5-yl)-3-quinolin-6-ylurea
CID 67835168
2-(aminomethyl)-N-(2-methyl-1H-indol-5-yl)pyridine-4-carboxamide
CID 112526138
N-(8-methylquinolin-5-yl)-2-pyrimidin-2-yl-1,3-thiazole-4-carboxamide
CID 51085163
N-(1H-indol-5-yl)-2-(4-methylphenyl)-1,3-thiazole-4-carboxamide
CID 143403398
2-methyl-N-pyrimidin-2-yl-1H-indole-5-carboxamide
CID 110695111
1-(2-fluorophenyl)-N-(2-methyl-1H-indol-5-yl)pyrazole-3-carboxamide
CID 78866415
N-(3,4-dimethoxyphenyl)-2-pyridin-2-yl-1,3-thiazole-4-carboxamide
CID 48846338
N-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-2-pyrimidin-2-yl-1,3-thiazole-4-carboxamide
CID 60523451
N-(2-methyl-1H-indol-5-yl)-4-methylsulfanylbenzamide
CID 86930444
N-[3-(cyclohexyloxymethyl)phenyl]-2-pyrimidin-2-yl-1,3-thiazole-4-carboxamide
CID 86849988
N-(4-piperidin-1-ylsulfonylphenyl)-2-pyrimidin-2-yl-1,3-thiazole-4-carboxamide
CID 55811032

Frequently Asked Questions

What is the IUPAC name of N-(2-methyl-1H-indol-5-yl)-2-pyrimidin-2-yl-1,3-thiazole-4-carboxamide?
The IUPAC name of N-(2-methyl-1H-indol-5-yl)-2-pyrimidin-2-yl-1,3-thiazole-4-carboxamide (CID 51085227) is N-(2-methyl-1H-indol-5-yl)-2-pyrimidin-2-yl-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-(2-methyl-1H-indol-5-yl)-2-pyrimidin-2-yl-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-(2-methyl-1H-indol-5-yl)-2-pyrimidin-2-yl-1,3-thiazole-4-carboxamide is Cc1cc2cc(NC(=O)c3csc(-c4ncccn4)n3)ccc2[nH]1.
What is the InChIKey of N-(2-methyl-1H-indol-5-yl)-2-pyrimidin-2-yl-1,3-thiazole-4-carboxamide?
The InChIKey is LNNYMVBALWJSFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13N5OS/c1-10-7-11-8-12(3-4-13(11)20-10)21-16(23)14-9-24-17(22-14)15-18-5-2-6-19-15/h2-9,20H,1H3,(H,21,23).
What are the key properties of N-(2-methyl-1H-indol-5-yl)-2-pyrimidin-2-yl-1,3-thiazole-4-carboxamide?
N-(2-methyl-1H-indol-5-yl)-2-pyrimidin-2-yl-1,3-thiazole-4-carboxamide has a molecular weight of 335.39 g/mol, XLogP of 3.64, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methyl-1H-indol-5-yl)-2-pyrimidin-2-yl-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 51085227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).