N-[5-[[2-chloro-5-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]-3-methyl-1,2-oxazole-5-carboxamide

C16H11ClF3N3O2S — CID 47009311

IUPACN-[5-[[2-chloro-5-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]-3-methyl-1,2-oxazole-5-carboxamide
SMILESCc1cc(C(=O)Nc2ncc(Cc3cc(C(F)(F)F)ccc3Cl)s2)on1
InChIInChI=1S/C16H11ClF3N3O2S/c1-8-4-13(25-23-8)14(24)22-15-21-7-11(26-15)6-9-5-10(16(18,19)20)2-3-12(9)17/h2-5,7H,6H2,1H3,(H,21,22,24)
InChIKeyIRHLFDFNMGWIEK-UHFFFAOYSA-N
MW401.80 g/mol
LogP4.95
Rot. Bonds4

About N-[5-[[2-chloro-5-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]-3-methyl-1,2-oxazole-5-carboxamide

N-[5-[[2-chloro-5-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]-3-methyl-1,2-oxazole-5-carboxamide (PubChem CID 47009311) has the molecular formula C16H11ClF3N3O2S and a molecular weight of 401.80 g/mol. Its IUPAC name is N-[5-[[2-chloro-5-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]-3-methyl-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound NameN-[5-[[2-chloro-5-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]-3-methyl-1,2-oxazole-5-carboxamide
PubChem CID47009311
Molecular FormulaC16H11ClF3N3O2S
Molecular Weight401.80 g/mol
Exact Mass401.02
IUPAC NameN-[5-[[2-chloro-5-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]-3-methyl-1,2-oxazole-5-carboxamide
SMILESCc1cc(C(=O)Nc2ncc(Cc3cc(C(F)(F)F)ccc3Cl)s2)on1
InChIInChI=1S/C16H11ClF3N3O2S/c1-8-4-13(25-23-8)14(24)22-15-21-7-11(26-15)6-9-5-10(16(18,19)20)2-3-12(9)17/h2-5,7H,6H2,1H3,(H,21,22,24)
InChIKeyIRHLFDFNMGWIEK-UHFFFAOYSA-N
XLogP4.95
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.80
LogP ≤ 54.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[5-[[2-chloro-5-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]-6-pyrazol-1-ylpyridine-3-carboxamide
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CID 18809082
N-[5-[[2-chloro-5-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]-3-(5-phenyl-1,3-oxazol-2-yl)propanamide
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CID 3282520
N-(5-bromo-1,3-thiazol-2-yl)-3-methyl-1,2-oxazole-5-carboxamide
CID 60784496
N-[5-[[2-chloro-5-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]-2-(2-ethoxy-4-formylphenoxy)acetamide
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CID 55371704
N-[5-[[2-chloro-5-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide
CID 16561505
N-[5-[[4-chloro-3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]-2-(methylamino)acetamide
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N-[5-[(2-chlorophenyl)methyl]-1,3-thiazol-2-yl]-6-methylpyridine-3-carboxamide
CID 46511635
N-[5-[[5-chloro-2-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]benzamide
CID 2231211
N-[5-[(2,5-dichlorophenyl)methyl]-1,3-thiazol-2-yl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide
CID 16549837

Frequently Asked Questions

What is the IUPAC name of N-[5-[[2-chloro-5-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]-3-methyl-1,2-oxazole-5-carboxamide?
The IUPAC name of N-[5-[[2-chloro-5-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]-3-methyl-1,2-oxazole-5-carboxamide (CID 47009311) is N-[5-[[2-chloro-5-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]-3-methyl-1,2-oxazole-5-carboxamide.
What is the SMILES notation for N-[5-[[2-chloro-5-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]-3-methyl-1,2-oxazole-5-carboxamide?
The canonical SMILES for N-[5-[[2-chloro-5-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]-3-methyl-1,2-oxazole-5-carboxamide is Cc1cc(C(=O)Nc2ncc(Cc3cc(C(F)(F)F)ccc3Cl)s2)on1.
What is the InChIKey of N-[5-[[2-chloro-5-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]-3-methyl-1,2-oxazole-5-carboxamide?
The InChIKey is IRHLFDFNMGWIEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11ClF3N3O2S/c1-8-4-13(25-23-8)14(24)22-15-21-7-11(26-15)6-9-5-10(16(18,19)20)2-3-12(9)17/h2-5,7H,6H2,1H3,(H,21,22,24).
What are the key properties of N-[5-[[2-chloro-5-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]-3-methyl-1,2-oxazole-5-carboxamide?
N-[5-[[2-chloro-5-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]-3-methyl-1,2-oxazole-5-carboxamide has a molecular weight of 401.80 g/mol, XLogP of 4.95, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[[2-chloro-5-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]-3-methyl-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 47009311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).