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

C16H14F6N2OS — CID 51121860

IUPACN-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-3,5-bis(trifluoromethyl)benzamide
SMILESCc1nc(C)c(C(C)NC(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)s1
InChIInChI=1S/C16H14F6N2OS/c1-7-13(26-9(3)23-7)8(2)24-14(25)10-4-11(15(17,18)19)6-12(5-10)16(20,21)22/h4-6,8H,1-3H3,(H,24,25)
InChIKeyAGDPDLDMUCTILZ-UHFFFAOYSA-N
MW396.36 g/mol
LogP5.29
Rot. Bonds3

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

N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-3,5-bis(trifluoromethyl)benzamide (PubChem CID 51121860) has the molecular formula C16H14F6N2OS and a molecular weight of 396.36 g/mol. Its IUPAC name is N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-3,5-bis(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-3,5-bis(trifluoromethyl)benzamide
PubChem CID51121860
Molecular FormulaC16H14F6N2OS
Molecular Weight396.36 g/mol
Exact Mass396.07
IUPAC NameN-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-3,5-bis(trifluoromethyl)benzamide
SMILESCc1nc(C)c(C(C)NC(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)s1
InChIInChI=1S/C16H14F6N2OS/c1-7-13(26-9(3)23-7)8(2)24-14(25)10-4-11(15(17,18)19)6-12(5-10)16(20,21)22/h4-6,8H,1-3H3,(H,24,25)
InChIKeyAGDPDLDMUCTILZ-UHFFFAOYSA-N
XLogP5.29
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500396.36
LogP ≤ 55.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-3,5-dihydroxybenzamide
CID 104938902
N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-4-fluorobenzamide
CID 47317355
N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-4-(methylamino)benzamide
CID 62174107
N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-1H-pyrazole-4-carboxamide
CID 61149421
3-amino-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-4-methylbenzamide
CID 61193208
4-(chloromethyl)-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]benzamide
CID 61192187
3-amino-4-chloro-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]benzamide
CID 61192619
N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-2H-benzotriazole-5-carboxamide
CID 47067601
4-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]-3,5-difluorobenzoic acid
CID 63185492
N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-2-fluoro-5-methylbenzamide
CID 62512190
N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-2,3-dihydro-1H-isoindole-5-carboxamide
CID 103998657
N-[(1R)-1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-5-methylthiophene-2-carboxamide
CID 94033085

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-3,5-bis(trifluoromethyl)benzamide?
The IUPAC name of N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-3,5-bis(trifluoromethyl)benzamide (CID 51121860) is N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-3,5-bis(trifluoromethyl)benzamide.
What is the SMILES notation for N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-3,5-bis(trifluoromethyl)benzamide?
The canonical SMILES for N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-3,5-bis(trifluoromethyl)benzamide is Cc1nc(C)c(C(C)NC(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)s1.
What is the InChIKey of N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-3,5-bis(trifluoromethyl)benzamide?
The InChIKey is AGDPDLDMUCTILZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14F6N2OS/c1-7-13(26-9(3)23-7)8(2)24-14(25)10-4-11(15(17,18)19)6-12(5-10)16(20,21)22/h4-6,8H,1-3H3,(H,24,25).
What are the key properties of N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-3,5-bis(trifluoromethyl)benzamide?
N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-3,5-bis(trifluoromethyl)benzamide has a molecular weight of 396.36 g/mol, XLogP of 5.29, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-3,5-bis(trifluoromethyl)benzamide is sourced from PubChem (CID 51121860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).