(2S)-N-cyclopropyl-1-[5-(trifluoromethyl)-1,3-thiazol-2-yl]pyrrolidine-2-carboxamide

C12H14F3N3OS — CID 164639916

IUPAC(2S)-N-cyclopropyl-1-[5-(trifluoromethyl)-1,3-thiazol-2-yl]pyrrolidine-2-carboxamide
SMILESO=C(NC1CC1)[C@@H]1CCCN1c1ncc(C(F)(F)F)s1
InChIInChI=1S/C12H14F3N3OS/c13-12(14,15)9-6-16-11(20-9)18-5-1-2-8(18)10(19)17-7-3-4-7/h6-8H,1-5H2,(H,17,19)/t8-/m0/s1
InChIKeyFJPFFHFNHGNHDF-QMMMGPOBSA-N
MW305.33 g/mol
LogP2.41
Rot. Bonds3

About (2S)-N-cyclopropyl-1-[5-(trifluoromethyl)-1,3-thiazol-2-yl]pyrrolidine-2-carboxamide

(2S)-N-cyclopropyl-1-[5-(trifluoromethyl)-1,3-thiazol-2-yl]pyrrolidine-2-carboxamide (PubChem CID 164639916) has the molecular formula C12H14F3N3OS and a molecular weight of 305.33 g/mol. Its IUPAC name is (2S)-N-cyclopropyl-1-[5-(trifluoromethyl)-1,3-thiazol-2-yl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-cyclopropyl-1-[5-(trifluoromethyl)-1,3-thiazol-2-yl]pyrrolidine-2-carboxamide
PubChem CID164639916
Molecular FormulaC12H14F3N3OS
Molecular Weight305.33 g/mol
Exact Mass305.08
IUPAC Name(2S)-N-cyclopropyl-1-[5-(trifluoromethyl)-1,3-thiazol-2-yl]pyrrolidine-2-carboxamide
SMILESO=C(NC1CC1)[C@@H]1CCCN1c1ncc(C(F)(F)F)s1
InChIInChI=1S/C12H14F3N3OS/c13-12(14,15)9-6-16-11(20-9)18-5-1-2-8(18)10(19)17-7-3-4-7/h6-8H,1-5H2,(H,17,19)/t8-/m0/s1
InChIKeyFJPFFHFNHGNHDF-QMMMGPOBSA-N
XLogP2.41
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.33
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(cyclopropylmethyl)-2-[[5-(trifluoromethyl)-1,3-thiazol-2-yl]amino]acetamide
CID 136535644
1-[5-(Trifluoromethyl)-1,3-thiazol-2-yl]-3-(3,3,3-trifluoropropyl)imidazolidin-4-one
CID 137992338
3-(Methylamino)-1-[5-(trifluoromethyl)-1,3-thiazol-2-yl]pyrrolidin-2-one
CID 22909972
cyclopentyl-[(3S)-3-[[5-(trifluoromethyl)-1,3-thiazol-2-yl]amino]pyrrolidin-1-yl]methanone
CID 100705200
cyclopentyl-[(3R)-3-[[5-(trifluoromethyl)-1,3-thiazol-2-yl]amino]pyrrolidin-1-yl]methanone
CID 100705210
N-(1,3-thiazol-2-yl)-1-(2,2,2-trifluoroacetyl)pyrrolidine-2-carboxamide
CID 108467332
4,4-difluoro-N-(5-methyl-1,3-thiazol-2-yl)pyrrolidine-2-carboxamide;hydrochloride
CID 120346807
4,4-difluoro-N-(5-methyl-1,3-thiazol-2-yl)pyrrolidine-2-carboxamide
CID 120346808
N-(5-ethyl-1,3-thiazol-2-yl)-4,4-difluoropyrrolidine-2-carboxamide;hydrochloride
CID 120349051
N-(5-ethyl-1,3-thiazol-2-yl)-4,4-difluoropyrrolidine-2-carboxamide
CID 120349052
N-(5-tert-butyl-1,3-thiazol-2-yl)-4,4-difluoropyrrolidine-2-carboxamide;hydrochloride
CID 120349559
N-(5-tert-butyl-1,3-thiazol-2-yl)-4,4-difluoropyrrolidine-2-carboxamide
CID 120349560

Frequently Asked Questions

What is the IUPAC name of (2S)-N-cyclopropyl-1-[5-(trifluoromethyl)-1,3-thiazol-2-yl]pyrrolidine-2-carboxamide?
The IUPAC name of (2S)-N-cyclopropyl-1-[5-(trifluoromethyl)-1,3-thiazol-2-yl]pyrrolidine-2-carboxamide (CID 164639916) is (2S)-N-cyclopropyl-1-[5-(trifluoromethyl)-1,3-thiazol-2-yl]pyrrolidine-2-carboxamide.
What is the SMILES notation for (2S)-N-cyclopropyl-1-[5-(trifluoromethyl)-1,3-thiazol-2-yl]pyrrolidine-2-carboxamide?
The canonical SMILES for (2S)-N-cyclopropyl-1-[5-(trifluoromethyl)-1,3-thiazol-2-yl]pyrrolidine-2-carboxamide is O=C(NC1CC1)[C@@H]1CCCN1c1ncc(C(F)(F)F)s1.
What is the InChIKey of (2S)-N-cyclopropyl-1-[5-(trifluoromethyl)-1,3-thiazol-2-yl]pyrrolidine-2-carboxamide?
The InChIKey is FJPFFHFNHGNHDF-QMMMGPOBSA-N. The full InChI is InChI=1S/C12H14F3N3OS/c13-12(14,15)9-6-16-11(20-9)18-5-1-2-8(18)10(19)17-7-3-4-7/h6-8H,1-5H2,(H,17,19)/t8-/m0/s1.
What are the key properties of (2S)-N-cyclopropyl-1-[5-(trifluoromethyl)-1,3-thiazol-2-yl]pyrrolidine-2-carboxamide?
(2S)-N-cyclopropyl-1-[5-(trifluoromethyl)-1,3-thiazol-2-yl]pyrrolidine-2-carboxamide has a molecular weight of 305.33 g/mol, XLogP of 2.41, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-cyclopropyl-1-[5-(trifluoromethyl)-1,3-thiazol-2-yl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 164639916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).