N-(1,3-thiazol-2-yl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide

C9H10F3N3OS — CID 55227261

IUPACN-(1,3-thiazol-2-yl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide
SMILESO=C(Nc1nccs1)C1(C(F)(F)F)CCNC1
InChIInChI=1S/C9H10F3N3OS/c10-9(11,12)8(1-2-13-5-8)6(16)15-7-14-3-4-17-7/h3-4,13H,1-2,5H2,(H,14,15,16)
InChIKeySKDOSSCRQQCRPF-UHFFFAOYSA-N
MW265.26 g/mol
LogP1.62
Rot. Bonds2

About N-(1,3-thiazol-2-yl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide

N-(1,3-thiazol-2-yl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide (PubChem CID 55227261) has the molecular formula C9H10F3N3OS and a molecular weight of 265.26 g/mol. Its IUPAC name is N-(1,3-thiazol-2-yl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-(1,3-thiazol-2-yl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide
PubChem CID55227261
Molecular FormulaC9H10F3N3OS
Molecular Weight265.26 g/mol
Exact Mass265.05
IUPAC NameN-(1,3-thiazol-2-yl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide
SMILESO=C(Nc1nccs1)C1(C(F)(F)F)CCNC1
InChIInChI=1S/C9H10F3N3OS/c10-9(11,12)8(1-2-13-5-8)6(16)15-7-14-3-4-17-7/h3-4,13H,1-2,5H2,(H,14,15,16)
InChIKeySKDOSSCRQQCRPF-UHFFFAOYSA-N
XLogP1.62
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.26
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1,3-thiazol-2-yl)-2,2-bis(trifluoromethyl)butanamide
CID 658974
1-[3-(2-Oxopyrrolidin-1-yl)propyl]-3-thiazol-2-yl-thiourea
CID 3003037
2-methyl-N-(1,3-thiazol-2-yl)butanamide
CID 3140495
Propanamide, 3-(1-pyrrolidinyl)-N-(2-thiazolyl)-
CID 558586
2-(2,4-dioxo-1,3-thiazolidin-5-yl)-N-(1,3-thiazol-2-yl)propanamide
CID 3464513
3,3,3-trifluoro-2-methyl-N-(1,3-thiazol-2-yl)-2-(trifluoromethyl)propanamide
CID 1906036
1-(2,2-difluoroethyl)-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide
CID 75463859
3,3,3-Trifluoro-N-(1,3-thiazol-2-yl)-2-(trifluoromethyl)propanamide
CID 567765
(2S)-4,4-difluoro-N-(1,3-thiazol-2-yl)pyrrolidine-2-carboxamide
CID 89826258
(3S)-1-cyano-N-(5-fluoro-1,3-thiazol-2-yl)pyrrolidine-3-carboxamide
CID 155329443
3-methyl-N-(1,3-thiazol-2-yl)butanamide
CID 4138253
2,2,3,3-tetrafluoro-N,N'-bis(1,3-thiazol-2-yl)butanediamide
CID 4229322

Frequently Asked Questions

What is the IUPAC name of N-(1,3-thiazol-2-yl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide?
The IUPAC name of N-(1,3-thiazol-2-yl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide (CID 55227261) is N-(1,3-thiazol-2-yl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide.
What is the SMILES notation for N-(1,3-thiazol-2-yl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide?
The canonical SMILES for N-(1,3-thiazol-2-yl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide is O=C(Nc1nccs1)C1(C(F)(F)F)CCNC1.
What is the InChIKey of N-(1,3-thiazol-2-yl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide?
The InChIKey is SKDOSSCRQQCRPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F3N3OS/c10-9(11,12)8(1-2-13-5-8)6(16)15-7-14-3-4-17-7/h3-4,13H,1-2,5H2,(H,14,15,16).
What are the key properties of N-(1,3-thiazol-2-yl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide?
N-(1,3-thiazol-2-yl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide has a molecular weight of 265.26 g/mol, XLogP of 1.62, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-thiazol-2-yl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 55227261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).