2-(5-chlorothiophen-2-yl)-N-ethyl-N-(2,2,2-trifluoroethyl)-1,3-thiazole-4-carboxamide

C12H10ClF3N2OS2 — CID 86841147

IUPAC2-(5-chlorothiophen-2-yl)-N-ethyl-N-(2,2,2-trifluoroethyl)-1,3-thiazole-4-carboxamide
SMILESCCN(CC(F)(F)F)C(=O)c1csc(-c2ccc(Cl)s2)n1
InChIInChI=1S/C12H10ClF3N2OS2/c1-2-18(6-12(14,15)16)11(19)7-5-20-10(17-7)8-3-4-9(13)21-8/h3-5H,2,6H2,1H3
InChIKeyMNULAXRKIFQCMI-UHFFFAOYSA-N
MW354.81 g/mol
LogP4.55
Rot. Bonds4

About 2-(5-chlorothiophen-2-yl)-N-ethyl-N-(2,2,2-trifluoroethyl)-1,3-thiazole-4-carboxamide

2-(5-chlorothiophen-2-yl)-N-ethyl-N-(2,2,2-trifluoroethyl)-1,3-thiazole-4-carboxamide (PubChem CID 86841147) has the molecular formula C12H10ClF3N2OS2 and a molecular weight of 354.81 g/mol. Its IUPAC name is 2-(5-chlorothiophen-2-yl)-N-ethyl-N-(2,2,2-trifluoroethyl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-(5-chlorothiophen-2-yl)-N-ethyl-N-(2,2,2-trifluoroethyl)-1,3-thiazole-4-carboxamide
PubChem CID86841147
Molecular FormulaC12H10ClF3N2OS2
Molecular Weight354.81 g/mol
Exact Mass353.99
IUPAC Name2-(5-chlorothiophen-2-yl)-N-ethyl-N-(2,2,2-trifluoroethyl)-1,3-thiazole-4-carboxamide
SMILESCCN(CC(F)(F)F)C(=O)c1csc(-c2ccc(Cl)s2)n1
InChIInChI=1S/C12H10ClF3N2OS2/c1-2-18(6-12(14,15)16)11(19)7-5-20-10(17-7)8-3-4-9(13)21-8/h3-5H,2,6H2,1H3
InChIKeyMNULAXRKIFQCMI-UHFFFAOYSA-N
XLogP4.55
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.81
LogP ≤ 54.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(5-chlorothiophen-2-yl)-N-ethyl-N-(2,2,2-trifluoroethyl)-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-(5-chlorothiophen-2-yl)-N-ethyl-N-(2,2,2-trifluoroethyl)-1,3-thiazole-4-carboxamide (CID 86841147) is 2-(5-chlorothiophen-2-yl)-N-ethyl-N-(2,2,2-trifluoroethyl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-(5-chlorothiophen-2-yl)-N-ethyl-N-(2,2,2-trifluoroethyl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-(5-chlorothiophen-2-yl)-N-ethyl-N-(2,2,2-trifluoroethyl)-1,3-thiazole-4-carboxamide is CCN(CC(F)(F)F)C(=O)c1csc(-c2ccc(Cl)s2)n1.
What is the InChIKey of 2-(5-chlorothiophen-2-yl)-N-ethyl-N-(2,2,2-trifluoroethyl)-1,3-thiazole-4-carboxamide?
The InChIKey is MNULAXRKIFQCMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10ClF3N2OS2/c1-2-18(6-12(14,15)16)11(19)7-5-20-10(17-7)8-3-4-9(13)21-8/h3-5H,2,6H2,1H3.
What are the key properties of 2-(5-chlorothiophen-2-yl)-N-ethyl-N-(2,2,2-trifluoroethyl)-1,3-thiazole-4-carboxamide?
2-(5-chlorothiophen-2-yl)-N-ethyl-N-(2,2,2-trifluoroethyl)-1,3-thiazole-4-carboxamide has a molecular weight of 354.81 g/mol, XLogP of 4.55, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chlorothiophen-2-yl)-N-ethyl-N-(2,2,2-trifluoroethyl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 86841147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).