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

C8H6N4OS — CID 110466780

IUPACN-(1,3-thiazol-2-yl)pyrimidine-5-carboxamide
SMILESO=C(Nc1nccs1)c1cncnc1
InChIInChI=1S/C8H6N4OS/c13-7(6-3-9-5-10-4-6)12-8-11-1-2-14-8/h1-5H,(H,11,12,13)
InChIKeyKPIARLMVPPLDLZ-UHFFFAOYSA-N
MW206.23 g/mol
LogP1.19
Rot. Bonds2

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

N-(1,3-thiazol-2-yl)pyrimidine-5-carboxamide (PubChem CID 110466780) has the molecular formula C8H6N4OS and a molecular weight of 206.23 g/mol. Its IUPAC name is N-(1,3-thiazol-2-yl)pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-(1,3-thiazol-2-yl)pyrimidine-5-carboxamide
PubChem CID110466780
Molecular FormulaC8H6N4OS
Molecular Weight206.23 g/mol
Exact Mass206.03
IUPAC NameN-(1,3-thiazol-2-yl)pyrimidine-5-carboxamide
SMILESO=C(Nc1nccs1)c1cncnc1
InChIInChI=1S/C8H6N4OS/c13-7(6-3-9-5-10-4-6)12-8-11-1-2-14-8/h1-5H,(H,11,12,13)
InChIKeyKPIARLMVPPLDLZ-UHFFFAOYSA-N
XLogP1.19
TPSA67.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.23
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(1,3-thiazol-2-yl)pyrimidine-5-carboxamide?
The IUPAC name of N-(1,3-thiazol-2-yl)pyrimidine-5-carboxamide (CID 110466780) is N-(1,3-thiazol-2-yl)pyrimidine-5-carboxamide.
What is the SMILES notation for N-(1,3-thiazol-2-yl)pyrimidine-5-carboxamide?
The canonical SMILES for N-(1,3-thiazol-2-yl)pyrimidine-5-carboxamide is O=C(Nc1nccs1)c1cncnc1.
What is the InChIKey of N-(1,3-thiazol-2-yl)pyrimidine-5-carboxamide?
The InChIKey is KPIARLMVPPLDLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6N4OS/c13-7(6-3-9-5-10-4-6)12-8-11-1-2-14-8/h1-5H,(H,11,12,13).
What are the key properties of N-(1,3-thiazol-2-yl)pyrimidine-5-carboxamide?
N-(1,3-thiazol-2-yl)pyrimidine-5-carboxamide has a molecular weight of 206.23 g/mol, XLogP of 1.19, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-thiazol-2-yl)pyrimidine-5-carboxamide is sourced from PubChem (CID 110466780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).