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

C12H12F2N2O2S2 — CID 107482866

IUPACN-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-2-thiophen-2-yl-1,3-thiazole-4-carboxamide
SMILESO=C(c1csc(-c2cccs2)n1)N(CCO)CC(F)F
InChIInChI=1S/C12H12F2N2O2S2/c13-10(14)6-16(3-4-17)12(18)8-7-20-11(15-8)9-2-1-5-19-9/h1-2,5,7,10,17H,3-4,6H2
InChIKeyGLPZUDPHOHNAGQ-UHFFFAOYSA-N
MW318.37 g/mol
LogP2.57
Rot. Bonds6

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

N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-2-thiophen-2-yl-1,3-thiazole-4-carboxamide (PubChem CID 107482866) 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-2-yl-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-2-thiophen-2-yl-1,3-thiazole-4-carboxamide
PubChem CID107482866
Molecular FormulaC12H12F2N2O2S2
Molecular Weight318.37 g/mol
Exact Mass318.03
IUPAC NameN-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-2-thiophen-2-yl-1,3-thiazole-4-carboxamide
SMILESO=C(c1csc(-c2cccs2)n1)N(CCO)CC(F)F
InChIInChI=1S/C12H12F2N2O2S2/c13-10(14)6-16(3-4-17)12(18)8-7-20-11(15-8)9-2-1-5-19-9/h1-2,5,7,10,17H,3-4,6H2
InChIKeyGLPZUDPHOHNAGQ-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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Related Compounds

N-methyl-2-(thiophen-2-yl)-1,3-thiazole-4-carboxamide
CID 1473850
US9216962, Cfh325-B
CID 71467629
2-(2-hydroxyethoxymethyl)-N-(thiophen-2-ylmethyl)-1,3-thiazole-4-carboxamide
CID 49786311
1,1,1-Trifluoro-3-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methylamino]propan-2-ol
CID 2738630
N-[2-(tert-butylamino)-2-oxoethyl]-N-ethyl-2-thiophen-2-yl-1,3-thiazole-4-carboxamide
CID 24473064
N-(2-amino-2-oxoethyl)-N-butyl-2-thiophen-2-yl-1,3-thiazole-4-carboxamide
CID 40163347
N-(1,1-dioxothiolan-3-yl)-N-methyl-2-thiophen-2-yl-1,3-thiazole-4-carboxamide
CID 42920002
[2-(Methoxymethyl)-1,3-thiazol-4-yl]-(2-thiophen-2-ylpyrrolidin-1-yl)methanone
CID 47426042
N-methyl-2-(2-oxo-1,3-oxazolidin-3-yl)-N-{[2-(2-thienyl)-1,3-thiazol-4-yl]methyl}acetamide
CID 70751764
Pyrrolidin-1-yl-(2-thiophen-2-yl-1,3-thiazol-4-yl)methanone
CID 24540104
N-(2-ethoxybenzyl)-1-[3-(4-methylphenoxy)pyrazin-2-yl]piperidine-4-carboxamide
CID 53037019
2-(Pyrrolidine-1-carbonyl)-4-(thiophen-2-YL)-1,3-thiazole
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Frequently Asked Questions

What is the IUPAC name of N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-2-thiophen-2-yl-1,3-thiazole-4-carboxamide?
The IUPAC name of N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-2-thiophen-2-yl-1,3-thiazole-4-carboxamide (CID 107482866) is N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-2-thiophen-2-yl-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-2-thiophen-2-yl-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-2-thiophen-2-yl-1,3-thiazole-4-carboxamide is O=C(c1csc(-c2cccs2)n1)N(CCO)CC(F)F.
What is the InChIKey of N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-2-thiophen-2-yl-1,3-thiazole-4-carboxamide?
The InChIKey is GLPZUDPHOHNAGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12F2N2O2S2/c13-10(14)6-16(3-4-17)12(18)8-7-20-11(15-8)9-2-1-5-19-9/h1-2,5,7,10,17H,3-4,6H2.
What are the key properties of N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-2-thiophen-2-yl-1,3-thiazole-4-carboxamide?
N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-2-thiophen-2-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-2-yl-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 107482866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).