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

C14H9F6N3O2S — CID 1483657

IUPAC2-methyl-4-(trifluoromethyl)-N-[[3-(trifluoromethyl)phenyl]carbamoyl]-1,3-thiazole-5-carboxamide
SMILESCc1nc(C(F)(F)F)c(C(=O)NC(=O)Nc2cccc(C(F)(F)F)c2)s1
InChIInChI=1S/C14H9F6N3O2S/c1-6-21-10(14(18,19)20)9(26-6)11(24)23-12(25)22-8-4-2-3-7(5-8)13(15,16)17/h2-5H,1H3,(H2,22,23,24,25)
InChIKeyVJBKYMXPLWULDZ-UHFFFAOYSA-N
MW397.30 g/mol
LogP4.45
Rot. Bonds2

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

2-methyl-4-(trifluoromethyl)-N-[[3-(trifluoromethyl)phenyl]carbamoyl]-1,3-thiazole-5-carboxamide (PubChem CID 1483657) has the molecular formula C14H9F6N3O2S and a molecular weight of 397.30 g/mol. Its IUPAC name is 2-methyl-4-(trifluoromethyl)-N-[[3-(trifluoromethyl)phenyl]carbamoyl]-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2-methyl-4-(trifluoromethyl)-N-[[3-(trifluoromethyl)phenyl]carbamoyl]-1,3-thiazole-5-carboxamide
PubChem CID1483657
Molecular FormulaC14H9F6N3O2S
Molecular Weight397.30 g/mol
Exact Mass397.03
IUPAC Name2-methyl-4-(trifluoromethyl)-N-[[3-(trifluoromethyl)phenyl]carbamoyl]-1,3-thiazole-5-carboxamide
SMILESCc1nc(C(F)(F)F)c(C(=O)NC(=O)Nc2cccc(C(F)(F)F)c2)s1
InChIInChI=1S/C14H9F6N3O2S/c1-6-21-10(14(18,19)20)9(26-6)11(24)23-12(25)22-8-4-2-3-7(5-8)13(15,16)17/h2-5H,1H3,(H2,22,23,24,25)
InChIKeyVJBKYMXPLWULDZ-UHFFFAOYSA-N
XLogP4.45
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.30
LogP ≤ 54.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-5-phenyl-N-[3-(trifluoromethyl)phenyl]-1,3-thiazole-4-carboxamide
CID 43854625
N-[3-[[3-(trifluoromethyl)phenyl]carbamoylamino]phenyl]acetamide
CID 970620
1-(3,5-dimethoxyphenyl)-3-[3-(trifluoromethyl)phenyl]urea
CID 971869
1-hydroxy-3-[3-(trifluoromethyl)phenyl]urea
CID 4106892
4-methyl-N-[3-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxamide
CID 5297318
2-chloro-N-[[3-(trifluoromethyl)phenyl]carbamoyl]pyridine-3-carboxamide
CID 162621094
2-(methanesulfonamido)-4-methyl-N-[3-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxamide
CID 100773164
N-benzyl-2-methyl-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide
CID 91573654
3-methyl-N-[3-(trifluoromethyl)phenyl]thiophene-2-carboxamide
CID 7900704
N'-(4,5-dimethyl-1,3-thiazol-2-yl)-N-[3-(trifluoromethyl)phenyl]oxamide
CID 108501440
N-[3-(trifluoromethyl)phenyl]-3-[[3-(trifluoromethyl)phenyl]carbamoylamino]benzamide
CID 2359720
1-(5-chloro-4-methyl-1,3-benzothiazol-2-yl)-3-[3-(trifluoromethyl)phenyl]urea
CID 121082445

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-(trifluoromethyl)-N-[[3-(trifluoromethyl)phenyl]carbamoyl]-1,3-thiazole-5-carboxamide?
The IUPAC name of 2-methyl-4-(trifluoromethyl)-N-[[3-(trifluoromethyl)phenyl]carbamoyl]-1,3-thiazole-5-carboxamide (CID 1483657) is 2-methyl-4-(trifluoromethyl)-N-[[3-(trifluoromethyl)phenyl]carbamoyl]-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2-methyl-4-(trifluoromethyl)-N-[[3-(trifluoromethyl)phenyl]carbamoyl]-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2-methyl-4-(trifluoromethyl)-N-[[3-(trifluoromethyl)phenyl]carbamoyl]-1,3-thiazole-5-carboxamide is Cc1nc(C(F)(F)F)c(C(=O)NC(=O)Nc2cccc(C(F)(F)F)c2)s1.
What is the InChIKey of 2-methyl-4-(trifluoromethyl)-N-[[3-(trifluoromethyl)phenyl]carbamoyl]-1,3-thiazole-5-carboxamide?
The InChIKey is VJBKYMXPLWULDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9F6N3O2S/c1-6-21-10(14(18,19)20)9(26-6)11(24)23-12(25)22-8-4-2-3-7(5-8)13(15,16)17/h2-5H,1H3,(H2,22,23,24,25).
What are the key properties of 2-methyl-4-(trifluoromethyl)-N-[[3-(trifluoromethyl)phenyl]carbamoyl]-1,3-thiazole-5-carboxamide?
2-methyl-4-(trifluoromethyl)-N-[[3-(trifluoromethyl)phenyl]carbamoyl]-1,3-thiazole-5-carboxamide has a molecular weight of 397.30 g/mol, XLogP of 4.45, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-(trifluoromethyl)-N-[[3-(trifluoromethyl)phenyl]carbamoyl]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 1483657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).