N-butyl-N-phenyl-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide

C18H18N4OS — CID 99588904

IUPACN-butyl-N-phenyl-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide
SMILESCCCCN(C(=O)c1cnc(-c2ncccn2)s1)c1ccccc1
InChIInChI=1S/C18H18N4OS/c1-2-3-12-22(14-8-5-4-6-9-14)18(23)15-13-21-17(24-15)16-19-10-7-11-20-16/h4-11,13H,2-3,12H2,1H3
InChIKeyFBBJMTYMYWAZSI-UHFFFAOYSA-N
MW338.44 g/mol
LogP4.05
Rot. Bonds6

About N-butyl-N-phenyl-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide

N-butyl-N-phenyl-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide (PubChem CID 99588904) has the molecular formula C18H18N4OS and a molecular weight of 338.44 g/mol. Its IUPAC name is N-butyl-N-phenyl-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-butyl-N-phenyl-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide
PubChem CID99588904
Molecular FormulaC18H18N4OS
Molecular Weight338.44 g/mol
Exact Mass338.12
IUPAC NameN-butyl-N-phenyl-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide
SMILESCCCCN(C(=O)c1cnc(-c2ncccn2)s1)c1ccccc1
InChIInChI=1S/C18H18N4OS/c1-2-3-12-22(14-8-5-4-6-9-14)18(23)15-13-21-17(24-15)16-19-10-7-11-20-16/h4-11,13H,2-3,12H2,1H3
InChIKeyFBBJMTYMYWAZSI-UHFFFAOYSA-N
XLogP4.05
TPSA58.98 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.44
LogP ≤ 54.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-butyl-5-hydroxy-N-phenylpyridine-3-carboxamide
CID 64586177
4-bromo-N-butyl-N-phenylbenzamide
CID 3934058
2-methyl-3-[methyl-(2-pyrimidin-2-yl-1,3-thiazole-5-carbonyl)amino]propanoic acid
CID 119228296
N-butyl-4-[methyl(phenyl)sulfamoyl]-N-phenylbenzamide
CID 8839615
4-amino-N-butyl-N-phenylpyridine-2-carboxamide
CID 64586979
N,N-di(cyclobutyl)-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide
CID 128533423
octyl(phenyl)carbamic acid
CID 54301990
3-bromo-N-butyl-N-phenylbenzamide
CID 17256559
5-amino-N-butyl-N-phenyl-1H-pyrazole-4-carboxamide
CID 64585805
2-[cyclopropyl-(2-pyrimidin-2-yl-1,3-thiazole-5-carbonyl)amino]acetic acid
CID 119194994
4-benzamido-N-butyl-N-phenylbenzamide
CID 17153379
4-[butyl-(4-methylbenzoyl)amino]benzoic acid
CID 20787968

Frequently Asked Questions

What is the IUPAC name of N-butyl-N-phenyl-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide?
The IUPAC name of N-butyl-N-phenyl-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide (CID 99588904) is N-butyl-N-phenyl-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-butyl-N-phenyl-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-butyl-N-phenyl-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide is CCCCN(C(=O)c1cnc(-c2ncccn2)s1)c1ccccc1.
What is the InChIKey of N-butyl-N-phenyl-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide?
The InChIKey is FBBJMTYMYWAZSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4OS/c1-2-3-12-22(14-8-5-4-6-9-14)18(23)15-13-21-17(24-15)16-19-10-7-11-20-16/h4-11,13H,2-3,12H2,1H3.
What are the key properties of N-butyl-N-phenyl-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide?
N-butyl-N-phenyl-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide has a molecular weight of 338.44 g/mol, XLogP of 4.05, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-N-phenyl-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 99588904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).