2-(cyclopropylmethyl)-N-ethyl-4-methyl-N-(2,2,2-trifluoroethyl)-1,3-thiazole-5-carboxamide

C13H17F3N2OS — CID 91652139

IUPAC2-(cyclopropylmethyl)-N-ethyl-4-methyl-N-(2,2,2-trifluoroethyl)-1,3-thiazole-5-carboxamide
SMILESCCN(CC(F)(F)F)C(=O)c1sc(CC2CC2)nc1C
InChIInChI=1S/C13H17F3N2OS/c1-3-18(7-13(14,15)16)12(19)11-8(2)17-10(20-11)6-9-4-5-9/h9H,3-7H2,1-2H3
InChIKeyDILDTOZJBMGTNC-UHFFFAOYSA-N
MW306.35 g/mol
LogP3.43
Rot. Bonds5

About 2-(cyclopropylmethyl)-N-ethyl-4-methyl-N-(2,2,2-trifluoroethyl)-1,3-thiazole-5-carboxamide

2-(cyclopropylmethyl)-N-ethyl-4-methyl-N-(2,2,2-trifluoroethyl)-1,3-thiazole-5-carboxamide (PubChem CID 91652139) has the molecular formula C13H17F3N2OS and a molecular weight of 306.35 g/mol. Its IUPAC name is 2-(cyclopropylmethyl)-N-ethyl-4-methyl-N-(2,2,2-trifluoroethyl)-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2-(cyclopropylmethyl)-N-ethyl-4-methyl-N-(2,2,2-trifluoroethyl)-1,3-thiazole-5-carboxamide
PubChem CID91652139
Molecular FormulaC13H17F3N2OS
Molecular Weight306.35 g/mol
Exact Mass306.10
IUPAC Name2-(cyclopropylmethyl)-N-ethyl-4-methyl-N-(2,2,2-trifluoroethyl)-1,3-thiazole-5-carboxamide
SMILESCCN(CC(F)(F)F)C(=O)c1sc(CC2CC2)nc1C
InChIInChI=1S/C13H17F3N2OS/c1-3-18(7-13(14,15)16)12(19)11-8(2)17-10(20-11)6-9-4-5-9/h9H,3-7H2,1-2H3
InChIKeyDILDTOZJBMGTNC-UHFFFAOYSA-N
XLogP3.43
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.35
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylmethyl)-N-ethyl-4-methyl-N-(2,2,2-trifluoroethyl)-1,3-thiazole-5-carboxamide?
The IUPAC name of 2-(cyclopropylmethyl)-N-ethyl-4-methyl-N-(2,2,2-trifluoroethyl)-1,3-thiazole-5-carboxamide (CID 91652139) is 2-(cyclopropylmethyl)-N-ethyl-4-methyl-N-(2,2,2-trifluoroethyl)-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2-(cyclopropylmethyl)-N-ethyl-4-methyl-N-(2,2,2-trifluoroethyl)-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2-(cyclopropylmethyl)-N-ethyl-4-methyl-N-(2,2,2-trifluoroethyl)-1,3-thiazole-5-carboxamide is CCN(CC(F)(F)F)C(=O)c1sc(CC2CC2)nc1C.
What is the InChIKey of 2-(cyclopropylmethyl)-N-ethyl-4-methyl-N-(2,2,2-trifluoroethyl)-1,3-thiazole-5-carboxamide?
The InChIKey is DILDTOZJBMGTNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F3N2OS/c1-3-18(7-13(14,15)16)12(19)11-8(2)17-10(20-11)6-9-4-5-9/h9H,3-7H2,1-2H3.
What are the key properties of 2-(cyclopropylmethyl)-N-ethyl-4-methyl-N-(2,2,2-trifluoroethyl)-1,3-thiazole-5-carboxamide?
2-(cyclopropylmethyl)-N-ethyl-4-methyl-N-(2,2,2-trifluoroethyl)-1,3-thiazole-5-carboxamide has a molecular weight of 306.35 g/mol, XLogP of 3.43, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylmethyl)-N-ethyl-4-methyl-N-(2,2,2-trifluoroethyl)-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 91652139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).