N-(2-imidazol-1-yl-1,3-thiazol-5-yl)pyrimidine-4-carboxamide

C11H8N6OS — CID 166095146

IUPACN-(2-imidazol-1-yl-1,3-thiazol-5-yl)pyrimidine-4-carboxamide
SMILESO=C(Nc1cnc(-n2ccnc2)s1)c1ccncn1
InChIInChI=1S/C11H8N6OS/c18-10(8-1-2-12-6-15-8)16-9-5-14-11(19-9)17-4-3-13-7-17/h1-7H,(H,16,18)
InChIKeyUCBXODVXPRHJOW-UHFFFAOYSA-N
MW272.29 g/mol
LogP1.37
Rot. Bonds3

About N-(2-imidazol-1-yl-1,3-thiazol-5-yl)pyrimidine-4-carboxamide

N-(2-imidazol-1-yl-1,3-thiazol-5-yl)pyrimidine-4-carboxamide (PubChem CID 166095146) has the molecular formula C11H8N6OS and a molecular weight of 272.29 g/mol. Its IUPAC name is N-(2-imidazol-1-yl-1,3-thiazol-5-yl)pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-(2-imidazol-1-yl-1,3-thiazol-5-yl)pyrimidine-4-carboxamide
PubChem CID166095146
Molecular FormulaC11H8N6OS
Molecular Weight272.29 g/mol
Exact Mass272.05
IUPAC NameN-(2-imidazol-1-yl-1,3-thiazol-5-yl)pyrimidine-4-carboxamide
SMILESO=C(Nc1cnc(-n2ccnc2)s1)c1ccncn1
InChIInChI=1S/C11H8N6OS/c18-10(8-1-2-12-6-15-8)16-9-5-14-11(19-9)17-4-3-13-7-17/h1-7H,(H,16,18)
InChIKeyUCBXODVXPRHJOW-UHFFFAOYSA-N
XLogP1.37
TPSA85.59 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.29
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(2-imidazol-1-yl-1,3-thiazol-5-yl)pyrimidine-4-carboxamide?
The IUPAC name of N-(2-imidazol-1-yl-1,3-thiazol-5-yl)pyrimidine-4-carboxamide (CID 166095146) is N-(2-imidazol-1-yl-1,3-thiazol-5-yl)pyrimidine-4-carboxamide.
What is the SMILES notation for N-(2-imidazol-1-yl-1,3-thiazol-5-yl)pyrimidine-4-carboxamide?
The canonical SMILES for N-(2-imidazol-1-yl-1,3-thiazol-5-yl)pyrimidine-4-carboxamide is O=C(Nc1cnc(-n2ccnc2)s1)c1ccncn1.
What is the InChIKey of N-(2-imidazol-1-yl-1,3-thiazol-5-yl)pyrimidine-4-carboxamide?
The InChIKey is UCBXODVXPRHJOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8N6OS/c18-10(8-1-2-12-6-15-8)16-9-5-14-11(19-9)17-4-3-13-7-17/h1-7H,(H,16,18).
What are the key properties of N-(2-imidazol-1-yl-1,3-thiazol-5-yl)pyrimidine-4-carboxamide?
N-(2-imidazol-1-yl-1,3-thiazol-5-yl)pyrimidine-4-carboxamide has a molecular weight of 272.29 g/mol, XLogP of 1.37, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-imidazol-1-yl-1,3-thiazol-5-yl)pyrimidine-4-carboxamide is sourced from PubChem (CID 166095146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).