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

C12H16F3N3OS — CID 63709863

IUPACN-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]-3-(trifluoromethyl)pyrrolidine-3-carboxamide
SMILESCc1ncc(CN(C)C(=O)C2(C(F)(F)F)CCNC2)s1
InChIInChI=1S/C12H16F3N3OS/c1-8-17-5-9(20-8)6-18(2)10(19)11(12(13,14)15)3-4-16-7-11/h5,16H,3-4,6-7H2,1-2H3
InChIKeyHHXAIVDSUQUHRG-UHFFFAOYSA-N
MW307.34 g/mol
LogP1.95
Rot. Bonds3

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

N-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]-3-(trifluoromethyl)pyrrolidine-3-carboxamide (PubChem CID 63709863) has the molecular formula C12H16F3N3OS and a molecular weight of 307.34 g/mol. Its IUPAC name is N-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]-3-(trifluoromethyl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]-3-(trifluoromethyl)pyrrolidine-3-carboxamide
PubChem CID63709863
Molecular FormulaC12H16F3N3OS
Molecular Weight307.34 g/mol
Exact Mass307.10
IUPAC NameN-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]-3-(trifluoromethyl)pyrrolidine-3-carboxamide
SMILESCc1ncc(CN(C)C(=O)C2(C(F)(F)F)CCNC2)s1
InChIInChI=1S/C12H16F3N3OS/c1-8-17-5-9(20-8)6-18(2)10(19)11(12(13,14)15)3-4-16-7-11/h5,16H,3-4,6-7H2,1-2H3
InChIKeyHHXAIVDSUQUHRG-UHFFFAOYSA-N
XLogP1.95
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.34
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]-3-(trifluoromethyl)pyrrolidine-3-carboxamide?
The IUPAC name of N-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]-3-(trifluoromethyl)pyrrolidine-3-carboxamide (CID 63709863) is N-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]-3-(trifluoromethyl)pyrrolidine-3-carboxamide.
What is the SMILES notation for N-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]-3-(trifluoromethyl)pyrrolidine-3-carboxamide?
The canonical SMILES for N-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]-3-(trifluoromethyl)pyrrolidine-3-carboxamide is Cc1ncc(CN(C)C(=O)C2(C(F)(F)F)CCNC2)s1.
What is the InChIKey of N-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]-3-(trifluoromethyl)pyrrolidine-3-carboxamide?
The InChIKey is HHXAIVDSUQUHRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F3N3OS/c1-8-17-5-9(20-8)6-18(2)10(19)11(12(13,14)15)3-4-16-7-11/h5,16H,3-4,6-7H2,1-2H3.
What are the key properties of N-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]-3-(trifluoromethyl)pyrrolidine-3-carboxamide?
N-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]-3-(trifluoromethyl)pyrrolidine-3-carboxamide has a molecular weight of 307.34 g/mol, XLogP of 1.95, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]-3-(trifluoromethyl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 63709863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).