3-pyridin-4-yl-N-(4-quinolin-2-yl-1,3-thiazol-2-yl)triazole-4-carboxamide

C20H13N7OS — CID 176859666

IUPAC3-pyridin-4-yl-N-(4-quinolin-2-yl-1,3-thiazol-2-yl)triazole-4-carboxamide
SMILESO=C(Nc1nc(-c2ccc3ccccc3n2)cs1)c1cnnn1-c1ccncc1
InChIInChI=1S/C20H13N7OS/c28-19(18-11-22-26-27(18)14-7-9-21-10-8-14)25-20-24-17(12-29-20)16-6-5-13-3-1-2-4-15(13)23-16/h1-12H,(H,24,25,28)
InChIKeyZUXVCQCJMCNUHP-UHFFFAOYSA-N
MW399.44 g/mol
LogP3.59
Rot. Bonds4

About 3-pyridin-4-yl-N-(4-quinolin-2-yl-1,3-thiazol-2-yl)triazole-4-carboxamide

3-pyridin-4-yl-N-(4-quinolin-2-yl-1,3-thiazol-2-yl)triazole-4-carboxamide (PubChem CID 176859666) has the molecular formula C20H13N7OS and a molecular weight of 399.44 g/mol. Its IUPAC name is 3-pyridin-4-yl-N-(4-quinolin-2-yl-1,3-thiazol-2-yl)triazole-4-carboxamide.

Molecular Properties

Compound Name3-pyridin-4-yl-N-(4-quinolin-2-yl-1,3-thiazol-2-yl)triazole-4-carboxamide
PubChem CID176859666
Molecular FormulaC20H13N7OS
Molecular Weight399.44 g/mol
Exact Mass399.09
IUPAC Name3-pyridin-4-yl-N-(4-quinolin-2-yl-1,3-thiazol-2-yl)triazole-4-carboxamide
SMILESO=C(Nc1nc(-c2ccc3ccccc3n2)cs1)c1cnnn1-c1ccncc1
InChIInChI=1S/C20H13N7OS/c28-19(18-11-22-26-27(18)14-7-9-21-10-8-14)25-20-24-17(12-29-20)16-6-5-13-3-1-2-4-15(13)23-16/h1-12H,(H,24,25,28)
InChIKeyZUXVCQCJMCNUHP-UHFFFAOYSA-N
XLogP3.59
TPSA98.48 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.44
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

N-[4-(6-methyl-2-pyridinyl)-1,3-thiazol-2-yl]-3-pyrimidin-4-yltriazole-4-carboxamide
CID 176859975
N-[4-(6-prop-1-ynyl-2-pyridinyl)-1,3-thiazol-2-yl]-3-pyrimidin-5-yltriazole-4-carboxamide
CID 176859622
N-[4-(5-ethoxy-2-pyridinyl)-1,3-thiazol-2-yl]-3-pyrimidin-5-yltriazole-4-carboxamide
CID 176858978
N-[4-(5-ethoxy-2-pyridinyl)-1,3-thiazol-2-yl]-3-pyridin-2-yltriazole-4-carboxamide
CID 176859502
N-[4-(3-methyl-2-pyridinyl)-1,3-thiazol-2-yl]-3-pyrimidin-2-yltriazole-4-carboxamide
CID 176858440
3-(3-fluorophenyl)-N-[4-(3-methyl-2-pyridinyl)-1,3-thiazol-2-yl]triazole-4-carboxamide
CID 176859373
N-[4-(3,4-dimethyl-2-pyridinyl)-1,3-thiazol-2-yl]-3-(3-fluorophenyl)triazole-4-carboxamide
CID 176858783
N-[4-(3-cyano-2-pyridinyl)-1,3-thiazol-2-yl]-3-pyrimidin-2-yltriazole-4-carboxamide
CID 176859838
N-[4-(5-fluoro-2-pyridinyl)-1,3-thiazol-2-yl]-3-pyridin-4-ylimidazole-4-carboxamide
CID 176859446
1-benzyl-5-chloro-N-[4-(1,7-naphthyridin-2-yl)-1,3-thiazol-2-yl]pyrazole-4-carboxamide
CID 176859066
1-phenyl-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)-3-thiophen-2-ylpyrazole-5-carboxamide
CID 16550695
2,5-dimethyl-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)pyrazole-3-carboxamide
CID 16952767

Frequently Asked Questions

What is the IUPAC name of 3-pyridin-4-yl-N-(4-quinolin-2-yl-1,3-thiazol-2-yl)triazole-4-carboxamide?
The IUPAC name of 3-pyridin-4-yl-N-(4-quinolin-2-yl-1,3-thiazol-2-yl)triazole-4-carboxamide (CID 176859666) is 3-pyridin-4-yl-N-(4-quinolin-2-yl-1,3-thiazol-2-yl)triazole-4-carboxamide.
What is the SMILES notation for 3-pyridin-4-yl-N-(4-quinolin-2-yl-1,3-thiazol-2-yl)triazole-4-carboxamide?
The canonical SMILES for 3-pyridin-4-yl-N-(4-quinolin-2-yl-1,3-thiazol-2-yl)triazole-4-carboxamide is O=C(Nc1nc(-c2ccc3ccccc3n2)cs1)c1cnnn1-c1ccncc1.
What is the InChIKey of 3-pyridin-4-yl-N-(4-quinolin-2-yl-1,3-thiazol-2-yl)triazole-4-carboxamide?
The InChIKey is ZUXVCQCJMCNUHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13N7OS/c28-19(18-11-22-26-27(18)14-7-9-21-10-8-14)25-20-24-17(12-29-20)16-6-5-13-3-1-2-4-15(13)23-16/h1-12H,(H,24,25,28).
What are the key properties of 3-pyridin-4-yl-N-(4-quinolin-2-yl-1,3-thiazol-2-yl)triazole-4-carboxamide?
3-pyridin-4-yl-N-(4-quinolin-2-yl-1,3-thiazol-2-yl)triazole-4-carboxamide has a molecular weight of 399.44 g/mol, XLogP of 3.59, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-pyridin-4-yl-N-(4-quinolin-2-yl-1,3-thiazol-2-yl)triazole-4-carboxamide is sourced from PubChem (CID 176859666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).