N-[2-(2-methyl-1,3-thiazol-5-yl)ethyl]-4-(trifluoromethyl)benzamide

C14H13F3N2OS — CID 110717697

IUPACN-[2-(2-methyl-1,3-thiazol-5-yl)ethyl]-4-(trifluoromethyl)benzamide
SMILESCc1ncc(CCNC(=O)c2ccc(C(F)(F)F)cc2)s1
InChIInChI=1S/C14H13F3N2OS/c1-9-19-8-12(21-9)6-7-18-13(20)10-2-4-11(5-3-10)14(15,16)17/h2-5,8H,6-7H2,1H3,(H,18,20)
InChIKeyZZAVCLSFPQEOCS-UHFFFAOYSA-N
MW314.33 g/mol
LogP3.44
Rot. Bonds4

About N-[2-(2-methyl-1,3-thiazol-5-yl)ethyl]-4-(trifluoromethyl)benzamide

N-[2-(2-methyl-1,3-thiazol-5-yl)ethyl]-4-(trifluoromethyl)benzamide (PubChem CID 110717697) has the molecular formula C14H13F3N2OS and a molecular weight of 314.33 g/mol. Its IUPAC name is N-[2-(2-methyl-1,3-thiazol-5-yl)ethyl]-4-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[2-(2-methyl-1,3-thiazol-5-yl)ethyl]-4-(trifluoromethyl)benzamide
PubChem CID110717697
Molecular FormulaC14H13F3N2OS
Molecular Weight314.33 g/mol
Exact Mass314.07
IUPAC NameN-[2-(2-methyl-1,3-thiazol-5-yl)ethyl]-4-(trifluoromethyl)benzamide
SMILESCc1ncc(CCNC(=O)c2ccc(C(F)(F)F)cc2)s1
InChIInChI=1S/C14H13F3N2OS/c1-9-19-8-12(21-9)6-7-18-13(20)10-2-4-11(5-3-10)14(15,16)17/h2-5,8H,6-7H2,1H3,(H,18,20)
InChIKeyZZAVCLSFPQEOCS-UHFFFAOYSA-N
XLogP3.44
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.33
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2-methyl-1,3-thiazol-5-yl)methyl]-2-[4-(trifluoromethyl)phenyl]acetamide
CID 86836135
N-[2-(1,3-thiazol-5-yl)ethyl]-4-(trifluoromethyl)benzamide
CID 110717526
N-[(2-methyl-1,3-thiazol-5-yl)methyl]-6-(trifluoromethyl)pyridine-3-carboxamide
CID 86836166
3-cyano-N-[2-(2-methyl-1,3-thiazol-5-yl)ethyl]benzamide
CID 110717665
2,6-dimethoxy-N-[2-(2-methyl-1,3-thiazol-5-yl)ethyl]benzamide
CID 110717671
1-tert-butyl-3-[2-(2-methyl-1,3-thiazol-5-yl)ethyl]urea
CID 110747789
4-chloro-N-[(2-methyl-1,3-thiazol-5-yl)methyl]benzamide
CID 39855026
4-bromo-N-[3-[(2-methyl-1,3-thiazol-5-yl)methylamino]-3-oxopropyl]benzamide
CID 86825632
6-methoxy-N-[2-[4-(trifluoromethyl)phenyl]ethyl]pyridine-3-carboxamide
CID 27006412
3,4-dimethyl-N-[2-[[4-(trifluoromethyl)benzoyl]amino]ethyl]benzamide
CID 108543008
1-[2-(2-methyl-1,3-thiazol-5-yl)ethyl]-3-propan-2-ylurea
CID 110747788
N-[2-(4-methyl-2-pyridin-2-yl-1,3-thiazol-5-yl)ethyl]-4-(trifluoromethyl)benzamide
CID 110395472

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-methyl-1,3-thiazol-5-yl)ethyl]-4-(trifluoromethyl)benzamide?
The IUPAC name of N-[2-(2-methyl-1,3-thiazol-5-yl)ethyl]-4-(trifluoromethyl)benzamide (CID 110717697) is N-[2-(2-methyl-1,3-thiazol-5-yl)ethyl]-4-(trifluoromethyl)benzamide.
What is the SMILES notation for N-[2-(2-methyl-1,3-thiazol-5-yl)ethyl]-4-(trifluoromethyl)benzamide?
The canonical SMILES for N-[2-(2-methyl-1,3-thiazol-5-yl)ethyl]-4-(trifluoromethyl)benzamide is Cc1ncc(CCNC(=O)c2ccc(C(F)(F)F)cc2)s1.
What is the InChIKey of N-[2-(2-methyl-1,3-thiazol-5-yl)ethyl]-4-(trifluoromethyl)benzamide?
The InChIKey is ZZAVCLSFPQEOCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13F3N2OS/c1-9-19-8-12(21-9)6-7-18-13(20)10-2-4-11(5-3-10)14(15,16)17/h2-5,8H,6-7H2,1H3,(H,18,20).
What are the key properties of N-[2-(2-methyl-1,3-thiazol-5-yl)ethyl]-4-(trifluoromethyl)benzamide?
N-[2-(2-methyl-1,3-thiazol-5-yl)ethyl]-4-(trifluoromethyl)benzamide has a molecular weight of 314.33 g/mol, XLogP of 3.44, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-methyl-1,3-thiazol-5-yl)ethyl]-4-(trifluoromethyl)benzamide is sourced from PubChem (CID 110717697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).