N-(1-methylpyrazol-4-yl)-2-quinolin-8-yl-1,3-thiazole-4-carboxamide

C17H13N5OS — CID 144923543

IUPACN-(1-methylpyrazol-4-yl)-2-quinolin-8-yl-1,3-thiazole-4-carboxamide
SMILESCn1cc(NC(=O)c2csc(-c3cccc4cccnc34)n2)cn1
InChIInChI=1S/C17H13N5OS/c1-22-9-12(8-19-22)20-16(23)14-10-24-17(21-14)13-6-2-4-11-5-3-7-18-15(11)13/h2-10H,1H3,(H,20,23)
InChIKeyGLMSSCRQYDHUQQ-UHFFFAOYSA-N
MW335.39 g/mol
LogP3.34
Rot. Bonds3

About N-(1-methylpyrazol-4-yl)-2-quinolin-8-yl-1,3-thiazole-4-carboxamide

N-(1-methylpyrazol-4-yl)-2-quinolin-8-yl-1,3-thiazole-4-carboxamide (PubChem CID 144923543) has the molecular formula C17H13N5OS and a molecular weight of 335.39 g/mol. Its IUPAC name is N-(1-methylpyrazol-4-yl)-2-quinolin-8-yl-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-(1-methylpyrazol-4-yl)-2-quinolin-8-yl-1,3-thiazole-4-carboxamide
PubChem CID144923543
Molecular FormulaC17H13N5OS
Molecular Weight335.39 g/mol
Exact Mass335.08
IUPAC NameN-(1-methylpyrazol-4-yl)-2-quinolin-8-yl-1,3-thiazole-4-carboxamide
SMILESCn1cc(NC(=O)c2csc(-c3cccc4cccnc34)n2)cn1
InChIInChI=1S/C17H13N5OS/c1-22-9-12(8-19-22)20-16(23)14-10-24-17(21-14)13-6-2-4-11-5-3-7-18-15(11)13/h2-10H,1H3,(H,20,23)
InChIKeyGLMSSCRQYDHUQQ-UHFFFAOYSA-N
XLogP3.34
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.39
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(1-methylpyrazol-4-yl)-2-quinolin-8-yl-1,3-thiazole-4-carboxamide?
The IUPAC name of N-(1-methylpyrazol-4-yl)-2-quinolin-8-yl-1,3-thiazole-4-carboxamide (CID 144923543) is N-(1-methylpyrazol-4-yl)-2-quinolin-8-yl-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-(1-methylpyrazol-4-yl)-2-quinolin-8-yl-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-(1-methylpyrazol-4-yl)-2-quinolin-8-yl-1,3-thiazole-4-carboxamide is Cn1cc(NC(=O)c2csc(-c3cccc4cccnc34)n2)cn1.
What is the InChIKey of N-(1-methylpyrazol-4-yl)-2-quinolin-8-yl-1,3-thiazole-4-carboxamide?
The InChIKey is GLMSSCRQYDHUQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13N5OS/c1-22-9-12(8-19-22)20-16(23)14-10-24-17(21-14)13-6-2-4-11-5-3-7-18-15(11)13/h2-10H,1H3,(H,20,23).
What are the key properties of N-(1-methylpyrazol-4-yl)-2-quinolin-8-yl-1,3-thiazole-4-carboxamide?
N-(1-methylpyrazol-4-yl)-2-quinolin-8-yl-1,3-thiazole-4-carboxamide has a molecular weight of 335.39 g/mol, XLogP of 3.34, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methylpyrazol-4-yl)-2-quinolin-8-yl-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 144923543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).