N-(5-methyl-1,3-thiazol-2-yl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide

C10H12F3N3OS — CID 63710562

IUPACN-(5-methyl-1,3-thiazol-2-yl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide
SMILESCc1cnc(NC(=O)C2(C(F)(F)F)CCNC2)s1
InChIInChI=1S/C10H12F3N3OS/c1-6-4-15-8(18-6)16-7(17)9(10(11,12)13)2-3-14-5-9/h4,14H,2-3,5H2,1H3,(H,15,16,17)
InChIKeySZDRXVNMCLHLDA-UHFFFAOYSA-N
MW279.29 g/mol
LogP1.93
Rot. Bonds2

About N-(5-methyl-1,3-thiazol-2-yl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide

N-(5-methyl-1,3-thiazol-2-yl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide (PubChem CID 63710562) has the molecular formula C10H12F3N3OS and a molecular weight of 279.29 g/mol. Its IUPAC name is N-(5-methyl-1,3-thiazol-2-yl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-(5-methyl-1,3-thiazol-2-yl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide
PubChem CID63710562
Molecular FormulaC10H12F3N3OS
Molecular Weight279.29 g/mol
Exact Mass279.07
IUPAC NameN-(5-methyl-1,3-thiazol-2-yl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide
SMILESCc1cnc(NC(=O)C2(C(F)(F)F)CCNC2)s1
InChIInChI=1S/C10H12F3N3OS/c1-6-4-15-8(18-6)16-7(17)9(10(11,12)13)2-3-14-5-9/h4,14H,2-3,5H2,1H3,(H,15,16,17)
InChIKeySZDRXVNMCLHLDA-UHFFFAOYSA-N
XLogP1.93
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.29
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(5-methyl-1,3-thiazol-2-yl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide?
The IUPAC name of N-(5-methyl-1,3-thiazol-2-yl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide (CID 63710562) is N-(5-methyl-1,3-thiazol-2-yl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide.
What is the SMILES notation for N-(5-methyl-1,3-thiazol-2-yl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide?
The canonical SMILES for N-(5-methyl-1,3-thiazol-2-yl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide is Cc1cnc(NC(=O)C2(C(F)(F)F)CCNC2)s1.
What is the InChIKey of N-(5-methyl-1,3-thiazol-2-yl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide?
The InChIKey is SZDRXVNMCLHLDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F3N3OS/c1-6-4-15-8(18-6)16-7(17)9(10(11,12)13)2-3-14-5-9/h4,14H,2-3,5H2,1H3,(H,15,16,17).
What are the key properties of N-(5-methyl-1,3-thiazol-2-yl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide?
N-(5-methyl-1,3-thiazol-2-yl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide has a molecular weight of 279.29 g/mol, XLogP of 1.93, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methyl-1,3-thiazol-2-yl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 63710562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).