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

C17H14N8O2S — CID 176858978

IUPACN-[4-(5-ethoxy-2-pyridinyl)-1,3-thiazol-2-yl]-3-pyrimidin-5-yltriazole-4-carboxamide
SMILESCCOc1ccc(-c2csc(NC(=O)c3cnnn3-c3cncnc3)n2)nc1
InChIInChI=1S/C17H14N8O2S/c1-2-27-12-3-4-13(20-7-12)14-9-28-17(22-14)23-16(26)15-8-21-24-25(15)11-5-18-10-19-6-11/h3-10H,2H2,1H3,(H,22,23,26)
InChIKeyMLJPIALDUXPQMY-UHFFFAOYSA-N
MW394.42 g/mol
LogP2.23
Rot. Bonds6

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

N-[4-(5-ethoxy-2-pyridinyl)-1,3-thiazol-2-yl]-3-pyrimidin-5-yltriazole-4-carboxamide (PubChem CID 176858978) has the molecular formula C17H14N8O2S and a molecular weight of 394.42 g/mol. Its IUPAC name is N-[4-(5-ethoxy-2-pyridinyl)-1,3-thiazol-2-yl]-3-pyrimidin-5-yltriazole-4-carboxamide.

Molecular Properties

Compound NameN-[4-(5-ethoxy-2-pyridinyl)-1,3-thiazol-2-yl]-3-pyrimidin-5-yltriazole-4-carboxamide
PubChem CID176858978
Molecular FormulaC17H14N8O2S
Molecular Weight394.42 g/mol
Exact Mass394.10
IUPAC NameN-[4-(5-ethoxy-2-pyridinyl)-1,3-thiazol-2-yl]-3-pyrimidin-5-yltriazole-4-carboxamide
SMILESCCOc1ccc(-c2csc(NC(=O)c3cnnn3-c3cncnc3)n2)nc1
InChIInChI=1S/C17H14N8O2S/c1-2-27-12-3-4-13(20-7-12)14-9-28-17(22-14)23-16(26)15-8-21-24-25(15)11-5-18-10-19-6-11/h3-10H,2H2,1H3,(H,22,23,26)
InChIKeyMLJPIALDUXPQMY-UHFFFAOYSA-N
XLogP2.23
TPSA120.60 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.42
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

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Related Compounds

N-[4-(5-ethoxy-2-pyridinyl)-1,3-thiazol-2-yl]-3-pyridin-2-yltriazole-4-carboxamide
CID 176859502
N-[4-(5-ethoxy-2-pyridinyl)-1,3-thiazol-2-yl]-3-pyridin-3-ylimidazole-4-carboxamide
CID 176858480
N-[4-(6-prop-1-ynyl-2-pyridinyl)-1,3-thiazol-2-yl]-3-pyrimidin-5-yltriazole-4-carboxamide
CID 176859622
N-[4-(5-methoxy-2-pyridinyl)-1,3-thiazol-2-yl]-3-phenylimidazole-4-carboxamide
CID 176859832
N,4-bis(5-ethoxy-2-pyridinyl)-1,3-thiazol-2-amine
CID 163268876
3-pyridin-4-yl-N-(4-quinolin-2-yl-1,3-thiazol-2-yl)triazole-4-carboxamide
CID 176859666
N-[4-(6-methyl-2-pyridinyl)-1,3-thiazol-2-yl]-3-pyrimidin-4-yltriazole-4-carboxamide
CID 176859975
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-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]-2-(methylamino)acetamide
CID 146214695
N-[4-(4-methoxy-2-pyridinyl)-1,3-oxazol-2-yl]-3-pyrimidin-5-yltriazole-4-carboxamide
CID 176858918

Frequently Asked Questions

What is the IUPAC name of N-[4-(5-ethoxy-2-pyridinyl)-1,3-thiazol-2-yl]-3-pyrimidin-5-yltriazole-4-carboxamide?
The IUPAC name of N-[4-(5-ethoxy-2-pyridinyl)-1,3-thiazol-2-yl]-3-pyrimidin-5-yltriazole-4-carboxamide (CID 176858978) is N-[4-(5-ethoxy-2-pyridinyl)-1,3-thiazol-2-yl]-3-pyrimidin-5-yltriazole-4-carboxamide.
What is the SMILES notation for N-[4-(5-ethoxy-2-pyridinyl)-1,3-thiazol-2-yl]-3-pyrimidin-5-yltriazole-4-carboxamide?
The canonical SMILES for N-[4-(5-ethoxy-2-pyridinyl)-1,3-thiazol-2-yl]-3-pyrimidin-5-yltriazole-4-carboxamide is CCOc1ccc(-c2csc(NC(=O)c3cnnn3-c3cncnc3)n2)nc1.
What is the InChIKey of N-[4-(5-ethoxy-2-pyridinyl)-1,3-thiazol-2-yl]-3-pyrimidin-5-yltriazole-4-carboxamide?
The InChIKey is MLJPIALDUXPQMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N8O2S/c1-2-27-12-3-4-13(20-7-12)14-9-28-17(22-14)23-16(26)15-8-21-24-25(15)11-5-18-10-19-6-11/h3-10H,2H2,1H3,(H,22,23,26).
What are the key properties of N-[4-(5-ethoxy-2-pyridinyl)-1,3-thiazol-2-yl]-3-pyrimidin-5-yltriazole-4-carboxamide?
N-[4-(5-ethoxy-2-pyridinyl)-1,3-thiazol-2-yl]-3-pyrimidin-5-yltriazole-4-carboxamide has a molecular weight of 394.42 g/mol, XLogP of 2.23, 6 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(5-ethoxy-2-pyridinyl)-1,3-thiazol-2-yl]-3-pyrimidin-5-yltriazole-4-carboxamide is sourced from PubChem (CID 176858978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).