N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-2-thiophen-3-yl-1,3-thiazole-4-carboxamide

C12H12F2N2O2S2 — CID 107482801

IUPACN-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-2-thiophen-3-yl-1,3-thiazole-4-carboxamide
SMILESO=C(c1csc(-c2ccsc2)n1)N(CCO)CC(F)F
InChIInChI=1S/C12H12F2N2O2S2/c13-10(14)5-16(2-3-17)12(18)9-7-20-11(15-9)8-1-4-19-6-8/h1,4,6-7,10,17H,2-3,5H2
InChIKeyBHASRFJWEVFONI-UHFFFAOYSA-N
MW318.37 g/mol
LogP2.57
Rot. Bonds6

About N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-2-thiophen-3-yl-1,3-thiazole-4-carboxamide

N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-2-thiophen-3-yl-1,3-thiazole-4-carboxamide (PubChem CID 107482801) has the molecular formula C12H12F2N2O2S2 and a molecular weight of 318.37 g/mol. Its IUPAC name is N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-2-thiophen-3-yl-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-2-thiophen-3-yl-1,3-thiazole-4-carboxamide
PubChem CID107482801
Molecular FormulaC12H12F2N2O2S2
Molecular Weight318.37 g/mol
Exact Mass318.03
IUPAC NameN-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-2-thiophen-3-yl-1,3-thiazole-4-carboxamide
SMILESO=C(c1csc(-c2ccsc2)n1)N(CCO)CC(F)F
InChIInChI=1S/C12H12F2N2O2S2/c13-10(14)5-16(2-3-17)12(18)9-7-20-11(15-9)8-1-4-19-6-8/h1,4,6-7,10,17H,2-3,5H2
InChIKeyBHASRFJWEVFONI-UHFFFAOYSA-N
XLogP2.57
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.37
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-2-thiophen-3-yl-1,3-thiazole-4-carboxamide?
The IUPAC name of N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-2-thiophen-3-yl-1,3-thiazole-4-carboxamide (CID 107482801) is N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-2-thiophen-3-yl-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-2-thiophen-3-yl-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-2-thiophen-3-yl-1,3-thiazole-4-carboxamide is O=C(c1csc(-c2ccsc2)n1)N(CCO)CC(F)F.
What is the InChIKey of N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-2-thiophen-3-yl-1,3-thiazole-4-carboxamide?
The InChIKey is BHASRFJWEVFONI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12F2N2O2S2/c13-10(14)5-16(2-3-17)12(18)9-7-20-11(15-9)8-1-4-19-6-8/h1,4,6-7,10,17H,2-3,5H2.
What are the key properties of N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-2-thiophen-3-yl-1,3-thiazole-4-carboxamide?
N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-2-thiophen-3-yl-1,3-thiazole-4-carboxamide has a molecular weight of 318.37 g/mol, XLogP of 2.57, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-2-thiophen-3-yl-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 107482801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).