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

C8H5BrN4OS — CID 130821730

IUPACN-(5-bromo-1,3-thiazol-2-yl)pyrimidine-4-carboxamide
SMILESO=C(Nc1ncc(Br)s1)c1ccncn1
InChIInChI=1S/C8H5BrN4OS/c9-6-3-11-8(15-6)13-7(14)5-1-2-10-4-12-5/h1-4H,(H,11,13,14)
InChIKeyCPEFTGMCDUFOOH-UHFFFAOYSA-N
MW285.13 g/mol
LogP1.95
Rot. Bonds2

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

N-(5-bromo-1,3-thiazol-2-yl)pyrimidine-4-carboxamide (PubChem CID 130821730) has the molecular formula C8H5BrN4OS and a molecular weight of 285.13 g/mol. Its IUPAC name is N-(5-bromo-1,3-thiazol-2-yl)pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-(5-bromo-1,3-thiazol-2-yl)pyrimidine-4-carboxamide
PubChem CID130821730
Molecular FormulaC8H5BrN4OS
Molecular Weight285.13 g/mol
Exact Mass283.94
IUPAC NameN-(5-bromo-1,3-thiazol-2-yl)pyrimidine-4-carboxamide
SMILESO=C(Nc1ncc(Br)s1)c1ccncn1
InChIInChI=1S/C8H5BrN4OS/c9-6-3-11-8(15-6)13-7(14)5-1-2-10-4-12-5/h1-4H,(H,11,13,14)
InChIKeyCPEFTGMCDUFOOH-UHFFFAOYSA-N
XLogP1.95
TPSA67.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.13
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-1,3-thiazol-2-yl)pyrimidine-4-carboxamide?
The IUPAC name of N-(5-bromo-1,3-thiazol-2-yl)pyrimidine-4-carboxamide (CID 130821730) is N-(5-bromo-1,3-thiazol-2-yl)pyrimidine-4-carboxamide.
What is the SMILES notation for N-(5-bromo-1,3-thiazol-2-yl)pyrimidine-4-carboxamide?
The canonical SMILES for N-(5-bromo-1,3-thiazol-2-yl)pyrimidine-4-carboxamide is O=C(Nc1ncc(Br)s1)c1ccncn1.
What is the InChIKey of N-(5-bromo-1,3-thiazol-2-yl)pyrimidine-4-carboxamide?
The InChIKey is CPEFTGMCDUFOOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5BrN4OS/c9-6-3-11-8(15-6)13-7(14)5-1-2-10-4-12-5/h1-4H,(H,11,13,14).
What are the key properties of N-(5-bromo-1,3-thiazol-2-yl)pyrimidine-4-carboxamide?
N-(5-bromo-1,3-thiazol-2-yl)pyrimidine-4-carboxamide has a molecular weight of 285.13 g/mol, XLogP of 1.95, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromo-1,3-thiazol-2-yl)pyrimidine-4-carboxamide is sourced from PubChem (CID 130821730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).