N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide

C12H14F3N3OS — CID 63709514

IUPACN-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide
SMILESO=C(Nc1nc2c(s1)CCC2)C1(C(F)(F)F)CCNC1
InChIInChI=1S/C12H14F3N3OS/c13-12(14,15)11(4-5-16-6-11)9(19)18-10-17-7-2-1-3-8(7)20-10/h16H,1-6H2,(H,17,18,19)
InChIKeySDTKSKSTXPXVQC-UHFFFAOYSA-N
MW305.33 g/mol
LogP2.11
Rot. Bonds2

About N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide

N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide (PubChem CID 63709514) has the molecular formula C12H14F3N3OS and a molecular weight of 305.33 g/mol. Its IUPAC name is N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide
PubChem CID63709514
Molecular FormulaC12H14F3N3OS
Molecular Weight305.33 g/mol
Exact Mass305.08
IUPAC NameN-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide
SMILESO=C(Nc1nc2c(s1)CCC2)C1(C(F)(F)F)CCNC1
InChIInChI=1S/C12H14F3N3OS/c13-12(14,15)11(4-5-16-6-11)9(19)18-10-17-7-2-1-3-8(7)20-10/h16H,1-6H2,(H,17,18,19)
InChIKeySDTKSKSTXPXVQC-UHFFFAOYSA-N
XLogP2.11
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.33
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide?
The IUPAC name of N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide (CID 63709514) is N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide.
What is the SMILES notation for N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide?
The canonical SMILES for N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide is O=C(Nc1nc2c(s1)CCC2)C1(C(F)(F)F)CCNC1.
What is the InChIKey of N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide?
The InChIKey is SDTKSKSTXPXVQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F3N3OS/c13-12(14,15)11(4-5-16-6-11)9(19)18-10-17-7-2-1-3-8(7)20-10/h16H,1-6H2,(H,17,18,19).
What are the key properties of N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide?
N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide has a molecular weight of 305.33 g/mol, XLogP of 2.11, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 63709514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).