4-methyl-N-pyrimidin-2-yl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxamide

C16H11F3N4OS — CID 29368838

IUPAC4-methyl-N-pyrimidin-2-yl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxamide
SMILESCc1nc(-c2ccc(C(F)(F)F)cc2)sc1C(=O)Nc1ncccn1
InChIInChI=1S/C16H11F3N4OS/c1-9-12(13(24)23-15-20-7-2-8-21-15)25-14(22-9)10-3-5-11(6-4-10)16(17,18)19/h2-8H,1H3,(H,20,21,23,24)
InChIKeyFYKYLPHIJGZQJW-UHFFFAOYSA-N
MW364.35 g/mol
LogP4.18
Rot. Bonds3

About 4-methyl-N-pyrimidin-2-yl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxamide

4-methyl-N-pyrimidin-2-yl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxamide (PubChem CID 29368838) has the molecular formula C16H11F3N4OS and a molecular weight of 364.35 g/mol. Its IUPAC name is 4-methyl-N-pyrimidin-2-yl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name4-methyl-N-pyrimidin-2-yl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxamide
PubChem CID29368838
Molecular FormulaC16H11F3N4OS
Molecular Weight364.35 g/mol
Exact Mass364.06
IUPAC Name4-methyl-N-pyrimidin-2-yl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxamide
SMILESCc1nc(-c2ccc(C(F)(F)F)cc2)sc1C(=O)Nc1ncccn1
InChIInChI=1S/C16H11F3N4OS/c1-9-12(13(24)23-15-20-7-2-8-21-15)25-14(22-9)10-3-5-11(6-4-10)16(17,18)19/h2-8H,1H3,(H,20,21,23,24)
InChIKeyFYKYLPHIJGZQJW-UHFFFAOYSA-N
XLogP4.18
TPSA67.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.35
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-bromophenyl)-4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxamide
CID 30345026
N-(3-benzamido-2-methylphenyl)-4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxamide
CID 55899419
4-methyl-N-(5-methyl-1,2-oxazol-3-yl)-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxamide
CID 31861302
N-[2-chloro-5-(trifluoromethyl)phenyl]-2-(4-fluorophenyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 108801094
4-methyl-2-thiophen-2-yl-N-[4-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxamide
CID 9192165
4-methyl-N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxamide
CID 30371650
4-methyl-N-[3-(2,2,2-trifluoroethoxy)propyl]-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxamide
CID 78858497
4-methyl-N'-[2-(3-methylphenoxy)acetyl]-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole-5-carbohydrazide
CID 55516245
2-(4-methoxyphenyl)-4-methyl-N-pyridin-2-yl-1,3-thiazole-5-carboxamide
CID 35035442
4-methyl-2-phenyl-N'-[(E)-3-[4-(trifluoromethyl)phenyl]prop-2-enoyl]-1,3-thiazole-5-carbohydrazide
CID 26617409
N-[3-(furan-2-ylmethoxy)propyl]-4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxamide
CID 55529881
4-methyl-N-(4-methyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)-2-phenyl-1,3-thiazole-5-carboxamide
CID 70814440

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-pyrimidin-2-yl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxamide?
The IUPAC name of 4-methyl-N-pyrimidin-2-yl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxamide (CID 29368838) is 4-methyl-N-pyrimidin-2-yl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 4-methyl-N-pyrimidin-2-yl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxamide?
The canonical SMILES for 4-methyl-N-pyrimidin-2-yl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxamide is Cc1nc(-c2ccc(C(F)(F)F)cc2)sc1C(=O)Nc1ncccn1.
What is the InChIKey of 4-methyl-N-pyrimidin-2-yl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxamide?
The InChIKey is FYKYLPHIJGZQJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11F3N4OS/c1-9-12(13(24)23-15-20-7-2-8-21-15)25-14(22-9)10-3-5-11(6-4-10)16(17,18)19/h2-8H,1H3,(H,20,21,23,24).
What are the key properties of 4-methyl-N-pyrimidin-2-yl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxamide?
4-methyl-N-pyrimidin-2-yl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxamide has a molecular weight of 364.35 g/mol, XLogP of 4.18, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-pyrimidin-2-yl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 29368838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).