N-(4-cyclopropyl-1,3-thiazol-2-yl)-2-(trifluoromethylsulfanyl)benzamide

C14H11F3N2OS2 — CID 39129852

IUPACN-(4-cyclopropyl-1,3-thiazol-2-yl)-2-(trifluoromethylsulfanyl)benzamide
SMILESO=C(Nc1nc(C2CC2)cs1)c1ccccc1SC(F)(F)F
InChIInChI=1S/C14H11F3N2OS2/c15-14(16,17)22-11-4-2-1-3-9(11)12(20)19-13-18-10(7-21-13)8-5-6-8/h1-4,7-8H,5-6H2,(H,18,19,20)
InChIKeyVKHCQWDNPMWXKM-UHFFFAOYSA-N
MW344.38 g/mol
LogP4.88
Rot. Bonds4

About N-(4-cyclopropyl-1,3-thiazol-2-yl)-2-(trifluoromethylsulfanyl)benzamide

N-(4-cyclopropyl-1,3-thiazol-2-yl)-2-(trifluoromethylsulfanyl)benzamide (PubChem CID 39129852) has the molecular formula C14H11F3N2OS2 and a molecular weight of 344.38 g/mol. Its IUPAC name is N-(4-cyclopropyl-1,3-thiazol-2-yl)-2-(trifluoromethylsulfanyl)benzamide.

Molecular Properties

Compound NameN-(4-cyclopropyl-1,3-thiazol-2-yl)-2-(trifluoromethylsulfanyl)benzamide
PubChem CID39129852
Molecular FormulaC14H11F3N2OS2
Molecular Weight344.38 g/mol
Exact Mass344.03
IUPAC NameN-(4-cyclopropyl-1,3-thiazol-2-yl)-2-(trifluoromethylsulfanyl)benzamide
SMILESO=C(Nc1nc(C2CC2)cs1)c1ccccc1SC(F)(F)F
InChIInChI=1S/C14H11F3N2OS2/c15-14(16,17)22-11-4-2-1-3-9(11)12(20)19-13-18-10(7-21-13)8-5-6-8/h1-4,7-8H,5-6H2,(H,18,19,20)
InChIKeyVKHCQWDNPMWXKM-UHFFFAOYSA-N
XLogP4.88
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.38
LogP ≤ 54.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-cyclopropyl-1,3-thiazol-2-yl)-2-fluoropyridine-3-carboxamide
CID 107358656
N-(4-cyclopropyl-1,3-thiazol-2-yl)-2-methoxybenzamide
CID 32864791
2-benzyl-N-(4-cyclopropyl-1,3-thiazol-2-yl)benzamide
CID 32865615
1-N,4-N-bis(4-cyclopropyl-1,3-thiazol-2-yl)benzene-1,4-dicarboxamide
CID 32869371
N-(4-cyclopropyl-1,3-thiazol-2-yl)-2-sulfanylidene-1H-pyridine-3-carboxamide
CID 32868667
N-(4-cyclopropyl-1,3-thiazol-2-yl)-2-(2-fluorophenyl)sulfanylacetamide
CID 33302254
N-[4-[5-(acetamidomethyl)furan-2-yl]-1,3-thiazol-2-yl]-2-(trifluoromethylsulfanyl)benzamide
CID 55607660
2-chloro-N-(4-cyclopropyl-1,3-thiazol-2-yl)-4,5-difluorobenzamide
CID 33301577
2,4-dichloro-N-(4-cyclopropyl-1,3-thiazol-2-yl)-5-fluorobenzamide
CID 33302941
2,5-dibromo-N-(4-cyclopropyl-1,3-thiazol-2-yl)thiophene-3-carboxamide
CID 113237268
N-(4-cyclopropyl-1,3-thiazol-2-yl)-2-(propylamino)pyridine-3-carboxamide
CID 62174643
N-(4-cyclopropyl-1,3-thiazol-2-yl)-3-fluoro-2-(methylamino)pyridine-4-carboxamide
CID 105385572

Frequently Asked Questions

What is the IUPAC name of N-(4-cyclopropyl-1,3-thiazol-2-yl)-2-(trifluoromethylsulfanyl)benzamide?
The IUPAC name of N-(4-cyclopropyl-1,3-thiazol-2-yl)-2-(trifluoromethylsulfanyl)benzamide (CID 39129852) is N-(4-cyclopropyl-1,3-thiazol-2-yl)-2-(trifluoromethylsulfanyl)benzamide.
What is the SMILES notation for N-(4-cyclopropyl-1,3-thiazol-2-yl)-2-(trifluoromethylsulfanyl)benzamide?
The canonical SMILES for N-(4-cyclopropyl-1,3-thiazol-2-yl)-2-(trifluoromethylsulfanyl)benzamide is O=C(Nc1nc(C2CC2)cs1)c1ccccc1SC(F)(F)F.
What is the InChIKey of N-(4-cyclopropyl-1,3-thiazol-2-yl)-2-(trifluoromethylsulfanyl)benzamide?
The InChIKey is VKHCQWDNPMWXKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11F3N2OS2/c15-14(16,17)22-11-4-2-1-3-9(11)12(20)19-13-18-10(7-21-13)8-5-6-8/h1-4,7-8H,5-6H2,(H,18,19,20).
What are the key properties of N-(4-cyclopropyl-1,3-thiazol-2-yl)-2-(trifluoromethylsulfanyl)benzamide?
N-(4-cyclopropyl-1,3-thiazol-2-yl)-2-(trifluoromethylsulfanyl)benzamide has a molecular weight of 344.38 g/mol, XLogP of 4.88, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-cyclopropyl-1,3-thiazol-2-yl)-2-(trifluoromethylsulfanyl)benzamide is sourced from PubChem (CID 39129852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).