(2S)-1-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazole-4-carbonyl]pyrrolidine-2-carboxamide

C16H14F3N3O2S — CID 70767564

IUPAC(2S)-1-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazole-4-carbonyl]pyrrolidine-2-carboxamide
SMILESNC(=O)[C@@H]1CCCN1C(=O)c1csc(-c2ccc(C(F)(F)F)cc2)n1
InChIInChI=1S/C16H14F3N3O2S/c17-16(18,19)10-5-3-9(4-6-10)14-21-11(8-25-14)15(24)22-7-1-2-12(22)13(20)23/h3-6,8,12H,1-2,7H2,(H2,20,23)/t12-/m0/s1
InChIKeyTXERJAYFGJGPJX-LBPRGKRZSA-N
MW369.37 g/mol
LogP2.92
Rot. Bonds3

About (2S)-1-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazole-4-carbonyl]pyrrolidine-2-carboxamide

(2S)-1-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazole-4-carbonyl]pyrrolidine-2-carboxamide (PubChem CID 70767564) has the molecular formula C16H14F3N3O2S and a molecular weight of 369.37 g/mol. Its IUPAC name is (2S)-1-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazole-4-carbonyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-1-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazole-4-carbonyl]pyrrolidine-2-carboxamide
PubChem CID70767564
Molecular FormulaC16H14F3N3O2S
Molecular Weight369.37 g/mol
Exact Mass369.08
IUPAC Name(2S)-1-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazole-4-carbonyl]pyrrolidine-2-carboxamide
SMILESNC(=O)[C@@H]1CCCN1C(=O)c1csc(-c2ccc(C(F)(F)F)cc2)n1
InChIInChI=1S/C16H14F3N3O2S/c17-16(18,19)10-5-3-9(4-6-10)14-21-11(8-25-14)15(24)22-7-1-2-12(22)13(20)23/h3-6,8,12H,1-2,7H2,(H2,20,23)/t12-/m0/s1
InChIKeyTXERJAYFGJGPJX-LBPRGKRZSA-N
XLogP2.92
TPSA76.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.37
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(2-methylthiazol-4-yl)-N-(3,3,3-trifluoropropyl)benzamide
CID 73504380
CID 155755133
CID 155755133
CID 155754620
CID 155754620
CID 155754687
CID 155754687
N-[2-[(2S)-2-cyano-4,4-difluoropyrrolidin-1-yl]-2-oxoethyl]-2-(4-fluorophenyl)-1,3-thiazole-4-carboxamide
CID 155754719
N-[2-[(2S)-2-cyano-4,4-difluoropyrrolidin-1-yl]-2-oxoethyl]-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole-4-carboxamide
CID 155754721
N-[2-[(2S)-2-cyano-4,4-difluoropyrrolidin-1-yl]-2-oxoethyl]-2-[[4-(trifluoromethyl)phenyl]sulfanylmethyl]-1,3-thiazole-4-carboxamide
CID 155754752
N-[2-[(2S)-2-cyano-4,4-difluoropyrrolidin-1-yl]-2-oxoethyl]-2-[[4-(4-cyanophenyl)phenyl]methyl]-1,3-thiazole-4-carboxamide
CID 155754787
N-[2-[(2S)-2-cyano-4,4-difluoropyrrolidin-1-yl]-2-oxoethyl]-2-(4-phenylphenyl)-1,3-thiazole-4-carboxamide
CID 155754874
N-[2-[(2S)-2-cyano-4,4-difluoropyrrolidin-1-yl]-2-oxoethyl]-2-[(4-methylsulfanylphenyl)methyl]-1,3-thiazole-4-carboxamide
CID 155754891
N-[2-[(2S)-2-cyano-4,4-difluoropyrrolidin-1-yl]-2-oxoethyl]-2-[(4-cyanophenyl)sulfanylmethyl]-1,3-thiazole-4-carboxamide
CID 155754902
CID 155754909
CID 155754909

Frequently Asked Questions

What is the IUPAC name of (2S)-1-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazole-4-carbonyl]pyrrolidine-2-carboxamide?
The IUPAC name of (2S)-1-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazole-4-carbonyl]pyrrolidine-2-carboxamide (CID 70767564) is (2S)-1-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazole-4-carbonyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for (2S)-1-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazole-4-carbonyl]pyrrolidine-2-carboxamide?
The canonical SMILES for (2S)-1-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazole-4-carbonyl]pyrrolidine-2-carboxamide is NC(=O)[C@@H]1CCCN1C(=O)c1csc(-c2ccc(C(F)(F)F)cc2)n1.
What is the InChIKey of (2S)-1-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazole-4-carbonyl]pyrrolidine-2-carboxamide?
The InChIKey is TXERJAYFGJGPJX-LBPRGKRZSA-N. The full InChI is InChI=1S/C16H14F3N3O2S/c17-16(18,19)10-5-3-9(4-6-10)14-21-11(8-25-14)15(24)22-7-1-2-12(22)13(20)23/h3-6,8,12H,1-2,7H2,(H2,20,23)/t12-/m0/s1.
What are the key properties of (2S)-1-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazole-4-carbonyl]pyrrolidine-2-carboxamide?
(2S)-1-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazole-4-carbonyl]pyrrolidine-2-carboxamide has a molecular weight of 369.37 g/mol, XLogP of 2.92, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazole-4-carbonyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 70767564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).