N-[4-(5-ethoxy-2-pyridinyl)-1,3-thiazol-2-yl]-3-pyridin-2-yltriazole-4-carboxamide

C18H15N7O2S — CID 176859502

IUPACN-[4-(5-ethoxy-2-pyridinyl)-1,3-thiazol-2-yl]-3-pyridin-2-yltriazole-4-carboxamide
SMILESCCOc1ccc(-c2csc(NC(=O)c3cnnn3-c3ccccn3)n2)nc1
InChIInChI=1S/C18H15N7O2S/c1-2-27-12-6-7-13(20-9-12)14-11-28-18(22-14)23-17(26)15-10-21-24-25(15)16-5-3-4-8-19-16/h3-11H,2H2,1H3,(H,22,23,26)
InChIKeyCDLWSVBLAOZORO-UHFFFAOYSA-N
MW393.43 g/mol
LogP2.83
Rot. Bonds6

About N-[4-(5-ethoxy-2-pyridinyl)-1,3-thiazol-2-yl]-3-pyridin-2-yltriazole-4-carboxamide

N-[4-(5-ethoxy-2-pyridinyl)-1,3-thiazol-2-yl]-3-pyridin-2-yltriazole-4-carboxamide (PubChem CID 176859502) has the molecular formula C18H15N7O2S and a molecular weight of 393.43 g/mol. Its IUPAC name is N-[4-(5-ethoxy-2-pyridinyl)-1,3-thiazol-2-yl]-3-pyridin-2-yltriazole-4-carboxamide.

Molecular Properties

Compound NameN-[4-(5-ethoxy-2-pyridinyl)-1,3-thiazol-2-yl]-3-pyridin-2-yltriazole-4-carboxamide
PubChem CID176859502
Molecular FormulaC18H15N7O2S
Molecular Weight393.43 g/mol
Exact Mass393.10
IUPAC NameN-[4-(5-ethoxy-2-pyridinyl)-1,3-thiazol-2-yl]-3-pyridin-2-yltriazole-4-carboxamide
SMILESCCOc1ccc(-c2csc(NC(=O)c3cnnn3-c3ccccn3)n2)nc1
InChIInChI=1S/C18H15N7O2S/c1-2-27-12-6-7-13(20-9-12)14-11-28-18(22-14)23-17(26)15-10-21-24-25(15)16-5-3-4-8-19-16/h3-11H,2H2,1H3,(H,22,23,26)
InChIKeyCDLWSVBLAOZORO-UHFFFAOYSA-N
XLogP2.83
TPSA107.71 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.43
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Related Compounds

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-3-ylimidazole-4-carboxamide
CID 176858480
N-[4-(6-methyl-2-pyridinyl)-1,3-thiazol-2-yl]-3-pyrimidin-4-yltriazole-4-carboxamide
CID 176859975
N-[4-(3-methyl-2-pyridinyl)-1,3-thiazol-2-yl]-3-pyrimidin-2-yltriazole-4-carboxamide
CID 176858440
N-[4-(5-methoxy-2-pyridinyl)-1,3-thiazol-2-yl]-3-phenylimidazole-4-carboxamide
CID 176859832
3-pyridin-4-yl-N-(4-quinolin-2-yl-1,3-thiazol-2-yl)triazole-4-carboxamide
CID 176859666
N,4-bis(5-ethoxy-2-pyridinyl)-1,3-thiazol-2-amine
CID 163268876
5-ethyl-N-[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]-1-pyridin-2-ylpyrazole-4-carboxamide
CID 112821652
N-[4-(3-cyano-2-pyridinyl)-1,3-thiazol-2-yl]-3-pyrimidin-2-yltriazole-4-carboxamide
CID 176859838
3-[2-(dimethylamino)-2-oxoethoxy]-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)benzamide
CID 87000563
3-(3-fluorophenyl)-N-[4-(3-methyl-2-pyridinyl)-1,3-thiazol-2-yl]triazole-4-carboxamide
CID 176859373
5-methyl-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)-1,2-oxazole-3-carboxamide
CID 2462544

Frequently Asked Questions

What is the IUPAC name of N-[4-(5-ethoxy-2-pyridinyl)-1,3-thiazol-2-yl]-3-pyridin-2-yltriazole-4-carboxamide?
The IUPAC name of N-[4-(5-ethoxy-2-pyridinyl)-1,3-thiazol-2-yl]-3-pyridin-2-yltriazole-4-carboxamide (CID 176859502) is N-[4-(5-ethoxy-2-pyridinyl)-1,3-thiazol-2-yl]-3-pyridin-2-yltriazole-4-carboxamide.
What is the SMILES notation for N-[4-(5-ethoxy-2-pyridinyl)-1,3-thiazol-2-yl]-3-pyridin-2-yltriazole-4-carboxamide?
The canonical SMILES for N-[4-(5-ethoxy-2-pyridinyl)-1,3-thiazol-2-yl]-3-pyridin-2-yltriazole-4-carboxamide is CCOc1ccc(-c2csc(NC(=O)c3cnnn3-c3ccccn3)n2)nc1.
What is the InChIKey of N-[4-(5-ethoxy-2-pyridinyl)-1,3-thiazol-2-yl]-3-pyridin-2-yltriazole-4-carboxamide?
The InChIKey is CDLWSVBLAOZORO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N7O2S/c1-2-27-12-6-7-13(20-9-12)14-11-28-18(22-14)23-17(26)15-10-21-24-25(15)16-5-3-4-8-19-16/h3-11H,2H2,1H3,(H,22,23,26).
What are the key properties of N-[4-(5-ethoxy-2-pyridinyl)-1,3-thiazol-2-yl]-3-pyridin-2-yltriazole-4-carboxamide?
N-[4-(5-ethoxy-2-pyridinyl)-1,3-thiazol-2-yl]-3-pyridin-2-yltriazole-4-carboxamide has a molecular weight of 393.43 g/mol, XLogP of 2.83, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(5-ethoxy-2-pyridinyl)-1,3-thiazol-2-yl]-3-pyridin-2-yltriazole-4-carboxamide is sourced from PubChem (CID 176859502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).