N-(2,2-difluoro-3-hydroxypropyl)-2-thiophen-2-yl-1,3-thiazole-4-carboxamide

C11H10F2N2O2S2 — CID 104858247

IUPACN-(2,2-difluoro-3-hydroxypropyl)-2-thiophen-2-yl-1,3-thiazole-4-carboxamide
SMILESO=C(NCC(F)(F)CO)c1csc(-c2cccs2)n1
InChIInChI=1S/C11H10F2N2O2S2/c12-11(13,6-16)5-14-9(17)7-4-19-10(15-7)8-2-1-3-18-8/h1-4,16H,5-6H2,(H,14,17)
InChIKeyJZYCWFOIXWENJT-UHFFFAOYSA-N
MW304.34 g/mol
LogP2.23
Rot. Bonds5

About N-(2,2-difluoro-3-hydroxypropyl)-2-thiophen-2-yl-1,3-thiazole-4-carboxamide

N-(2,2-difluoro-3-hydroxypropyl)-2-thiophen-2-yl-1,3-thiazole-4-carboxamide (PubChem CID 104858247) has the molecular formula C11H10F2N2O2S2 and a molecular weight of 304.34 g/mol. Its IUPAC name is N-(2,2-difluoro-3-hydroxypropyl)-2-thiophen-2-yl-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-(2,2-difluoro-3-hydroxypropyl)-2-thiophen-2-yl-1,3-thiazole-4-carboxamide
PubChem CID104858247
Molecular FormulaC11H10F2N2O2S2
Molecular Weight304.34 g/mol
Exact Mass304.02
IUPAC NameN-(2,2-difluoro-3-hydroxypropyl)-2-thiophen-2-yl-1,3-thiazole-4-carboxamide
SMILESO=C(NCC(F)(F)CO)c1csc(-c2cccs2)n1
InChIInChI=1S/C11H10F2N2O2S2/c12-11(13,6-16)5-14-9(17)7-4-19-10(15-7)8-2-1-3-18-8/h1-4,16H,5-6H2,(H,14,17)
InChIKeyJZYCWFOIXWENJT-UHFFFAOYSA-N
XLogP2.23
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.34
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-{[2-(2-thienyl)-1,3-thiazol-4-yl]methyl}propanamide
CID 2738814
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
methyl (E)-4-[(2-thiophen-2-yl-1,3-thiazole-4-carbonyl)amino]but-2-enoate
CID 90675747
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
Methyl [2-(methyl{[2-(2-thienyl)-1,3-thiazol-4-yl]methyl}amino)-2-oxoethyl]carbamate
CID 70770874
N-[(3R*,4R*)-4-(1-pyrrolidinyl)tetrahydro-3-furanyl]-2-(2-thienyl)-1,3-thiazole-4-carboxamide
CID 70787605
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

Frequently Asked Questions

What is the IUPAC name of N-(2,2-difluoro-3-hydroxypropyl)-2-thiophen-2-yl-1,3-thiazole-4-carboxamide?
The IUPAC name of N-(2,2-difluoro-3-hydroxypropyl)-2-thiophen-2-yl-1,3-thiazole-4-carboxamide (CID 104858247) is N-(2,2-difluoro-3-hydroxypropyl)-2-thiophen-2-yl-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-(2,2-difluoro-3-hydroxypropyl)-2-thiophen-2-yl-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-(2,2-difluoro-3-hydroxypropyl)-2-thiophen-2-yl-1,3-thiazole-4-carboxamide is O=C(NCC(F)(F)CO)c1csc(-c2cccs2)n1.
What is the InChIKey of N-(2,2-difluoro-3-hydroxypropyl)-2-thiophen-2-yl-1,3-thiazole-4-carboxamide?
The InChIKey is JZYCWFOIXWENJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F2N2O2S2/c12-11(13,6-16)5-14-9(17)7-4-19-10(15-7)8-2-1-3-18-8/h1-4,16H,5-6H2,(H,14,17).
What are the key properties of N-(2,2-difluoro-3-hydroxypropyl)-2-thiophen-2-yl-1,3-thiazole-4-carboxamide?
N-(2,2-difluoro-3-hydroxypropyl)-2-thiophen-2-yl-1,3-thiazole-4-carboxamide has a molecular weight of 304.34 g/mol, XLogP of 2.23, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-difluoro-3-hydroxypropyl)-2-thiophen-2-yl-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 104858247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).