N-[(1R)-1-(1H-imidazol-2-yl)ethyl]-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole-4-carboxamide

C16H13F3N4OS — CID 97132788

IUPACN-[(1R)-1-(1H-imidazol-2-yl)ethyl]-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole-4-carboxamide
SMILESC[C@@H](NC(=O)c1csc(-c2ccc(C(F)(F)F)cc2)n1)c1ncc[nH]1
InChIInChI=1S/C16H13F3N4OS/c1-9(13-20-6-7-21-13)22-14(24)12-8-25-15(23-12)10-2-4-11(5-3-10)16(17,18)19/h2-9H,1H3,(H,20,21)(H,22,24)/t9-/m1/s1
InChIKeyNPXUVUSNQZKOQJ-SECBINFHSA-N
MW366.37 g/mol
LogP4.04
Rot. Bonds4

About N-[(1R)-1-(1H-imidazol-2-yl)ethyl]-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole-4-carboxamide

N-[(1R)-1-(1H-imidazol-2-yl)ethyl]-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole-4-carboxamide (PubChem CID 97132788) has the molecular formula C16H13F3N4OS and a molecular weight of 366.37 g/mol. Its IUPAC name is N-[(1R)-1-(1H-imidazol-2-yl)ethyl]-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-[(1R)-1-(1H-imidazol-2-yl)ethyl]-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole-4-carboxamide
PubChem CID97132788
Molecular FormulaC16H13F3N4OS
Molecular Weight366.37 g/mol
Exact Mass366.08
IUPAC NameN-[(1R)-1-(1H-imidazol-2-yl)ethyl]-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole-4-carboxamide
SMILESC[C@@H](NC(=O)c1csc(-c2ccc(C(F)(F)F)cc2)n1)c1ncc[nH]1
InChIInChI=1S/C16H13F3N4OS/c1-9(13-20-6-7-21-13)22-14(24)12-8-25-15(23-12)10-2-4-11(5-3-10)16(17,18)19/h2-9H,1H3,(H,20,21)(H,22,24)/t9-/m1/s1
InChIKeyNPXUVUSNQZKOQJ-SECBINFHSA-N
XLogP4.04
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.37
LogP ≤ 54.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-fluorophenyl)-N-propan-2-yl-1,3-thiazole-4-carboxamide
CID 18097614
2-(4-methoxyphenyl)-N-propan-2-yl-1,3-thiazole-4-carboxamide
CID 17392431
N-propan-2-yl-2-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]acetamide
CID 18152022
3-(2,3-dichlorophenyl)-3-[[2-[4-(trifluoromethyl)phenyl]-1,3-thiazole-4-carbonyl]amino]propanoic acid
CID 71239824
1-[(1S)-1-(1H-imidazol-2-yl)-2-methylpropyl]-3-[4-(trifluoromethyl)phenyl]urea
CID 118535078
2-(4-ethoxyphenyl)-N-(1-hydroxypropan-2-yl)-1,3-thiazole-4-carboxamide
CID 78861167
2-(2-aminoethyl)-N-[1-[4-(trifluoromethyl)phenyl]ethyl]-1,3-thiazole-4-carboxamide
CID 120620294
3-[[2-[4-(trifluoromethyl)phenyl]-1,3-thiazole-4-carbonyl]amino]benzoic acid
CID 164608985
2-[3-methoxy-4-[[3-(trifluoromethyl)phenyl]methoxy]phenyl]-N-propan-2-yl-1,3-thiazole-4-carboxamide
CID 46165052
N-methyl-N-[1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole-4-carboxamide
CID 70774450
2-(1H-pyrazol-4-yl)-N-[4-(trifluoromethyl)phenyl]-1,3-thiazole-4-carboxamide
CID 172595712
(3S)-3-[[2-(2-methylphenyl)-1,3-thiazole-4-carbonyl]amino]-3-phenylpropanoic acid;(3S)-3-(2-methylphenyl)-3-[[2-[4-(trifluoromethyl)phenyl]-1,3-thiazole-4-carbonyl]amino]propanoic acid
CID 159631973

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(1H-imidazol-2-yl)ethyl]-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole-4-carboxamide?
The IUPAC name of N-[(1R)-1-(1H-imidazol-2-yl)ethyl]-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole-4-carboxamide (CID 97132788) is N-[(1R)-1-(1H-imidazol-2-yl)ethyl]-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-[(1R)-1-(1H-imidazol-2-yl)ethyl]-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-[(1R)-1-(1H-imidazol-2-yl)ethyl]-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole-4-carboxamide is C[C@@H](NC(=O)c1csc(-c2ccc(C(F)(F)F)cc2)n1)c1ncc[nH]1.
What is the InChIKey of N-[(1R)-1-(1H-imidazol-2-yl)ethyl]-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole-4-carboxamide?
The InChIKey is NPXUVUSNQZKOQJ-SECBINFHSA-N. The full InChI is InChI=1S/C16H13F3N4OS/c1-9(13-20-6-7-21-13)22-14(24)12-8-25-15(23-12)10-2-4-11(5-3-10)16(17,18)19/h2-9H,1H3,(H,20,21)(H,22,24)/t9-/m1/s1.
What are the key properties of N-[(1R)-1-(1H-imidazol-2-yl)ethyl]-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole-4-carboxamide?
N-[(1R)-1-(1H-imidazol-2-yl)ethyl]-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole-4-carboxamide has a molecular weight of 366.37 g/mol, XLogP of 4.04, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(1H-imidazol-2-yl)ethyl]-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 97132788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).