N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-4-(trifluoromethoxy)benzamide

C18H13F3N2O2S — CID 8534106

IUPACN-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-4-(trifluoromethoxy)benzamide
SMILESCc1nc(-c2ccc(NC(=O)c3ccc(OC(F)(F)F)cc3)cc2)cs1
InChIInChI=1S/C18H13F3N2O2S/c1-11-22-16(10-26-11)12-2-6-14(7-3-12)23-17(24)13-4-8-15(9-5-13)25-18(19,20)21/h2-10H,1H3,(H,23,24)
InChIKeyASTPPWNSKRSQKO-UHFFFAOYSA-N
MW378.38 g/mol
LogP5.27
Rot. Bonds4

About N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-4-(trifluoromethoxy)benzamide

N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-4-(trifluoromethoxy)benzamide (PubChem CID 8534106) has the molecular formula C18H13F3N2O2S and a molecular weight of 378.38 g/mol. Its IUPAC name is N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-4-(trifluoromethoxy)benzamide.

Molecular Properties

Compound NameN-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-4-(trifluoromethoxy)benzamide
PubChem CID8534106
Molecular FormulaC18H13F3N2O2S
Molecular Weight378.38 g/mol
Exact Mass378.06
IUPAC NameN-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-4-(trifluoromethoxy)benzamide
SMILESCc1nc(-c2ccc(NC(=O)c3ccc(OC(F)(F)F)cc3)cc2)cs1
InChIInChI=1S/C18H13F3N2O2S/c1-11-22-16(10-26-11)12-2-6-14(7-3-12)23-17(24)13-4-8-15(9-5-13)25-18(19,20)21/h2-10H,1H3,(H,23,24)
InChIKeyASTPPWNSKRSQKO-UHFFFAOYSA-N
XLogP5.27
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500378.38
LogP ≤ 55.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-acetamido-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]benzamide
CID 27167057
4-iodo-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]benzamide
CID 27167049
tert-butyl N-[4-[[4-(2-methyl-1,3-thiazol-4-yl)phenyl]carbamoyl]phenyl]carbamate
CID 55414687
4-(dimethylamino)-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]benzamide
CID 108727305
N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-4-(trifluoromethoxy)benzamide
CID 4660471
4-methoxy-N-[4-(trifluoromethoxy)phenyl]benzamide
CID 2678249
N-[4-(4-methylphenoxy)phenyl]-4-(trifluoromethoxy)benzamide
CID 7925236
N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-4-pyrrol-1-ylbenzamide
CID 26953310
2-methyl-4-[[4-(2-methyl-1,3-thiazol-4-yl)benzoyl]amino]benzamide
CID 167960554
3-methoxy-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]benzamide
CID 737892
N-hydroxy-4-(2-methyl-1,3-thiazol-4-yl)benzamide
CID 167927329
2-[4-[5-[4-[[4-(trifluoromethoxy)benzoyl]amino]phenyl]furan-2-yl]-1,3-thiazol-2-yl]acetic acid
CID 58659582

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-4-(trifluoromethoxy)benzamide?
The IUPAC name of N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-4-(trifluoromethoxy)benzamide (CID 8534106) is N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-4-(trifluoromethoxy)benzamide.
What is the SMILES notation for N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-4-(trifluoromethoxy)benzamide?
The canonical SMILES for N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-4-(trifluoromethoxy)benzamide is Cc1nc(-c2ccc(NC(=O)c3ccc(OC(F)(F)F)cc3)cc2)cs1.
What is the InChIKey of N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-4-(trifluoromethoxy)benzamide?
The InChIKey is ASTPPWNSKRSQKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13F3N2O2S/c1-11-22-16(10-26-11)12-2-6-14(7-3-12)23-17(24)13-4-8-15(9-5-13)25-18(19,20)21/h2-10H,1H3,(H,23,24).
What are the key properties of N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-4-(trifluoromethoxy)benzamide?
N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-4-(trifluoromethoxy)benzamide has a molecular weight of 378.38 g/mol, XLogP of 5.27, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-4-(trifluoromethoxy)benzamide is sourced from PubChem (CID 8534106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).