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

C11H10F2N2O2S2 — CID 103769877

IUPACN-(3,3-difluoro-2-hydroxypropyl)-2-thiophen-3-yl-1,3-thiazole-4-carboxamide
SMILESO=C(NCC(O)C(F)F)c1csc(-c2ccsc2)n1
InChIInChI=1S/C11H10F2N2O2S2/c12-9(13)8(16)3-14-10(17)7-5-19-11(15-7)6-1-2-18-4-6/h1-2,4-5,8-9,16H,3H2,(H,14,17)
InChIKeyXDYCAIXIVCKJFK-UHFFFAOYSA-N
MW304.34 g/mol
LogP2.23
Rot. Bonds5

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

N-(3,3-difluoro-2-hydroxypropyl)-2-thiophen-3-yl-1,3-thiazole-4-carboxamide (PubChem CID 103769877) has the molecular formula C11H10F2N2O2S2 and a molecular weight of 304.34 g/mol. Its IUPAC name is N-(3,3-difluoro-2-hydroxypropyl)-2-thiophen-3-yl-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-(3,3-difluoro-2-hydroxypropyl)-2-thiophen-3-yl-1,3-thiazole-4-carboxamide
PubChem CID103769877
Molecular FormulaC11H10F2N2O2S2
Molecular Weight304.34 g/mol
Exact Mass304.02
IUPAC NameN-(3,3-difluoro-2-hydroxypropyl)-2-thiophen-3-yl-1,3-thiazole-4-carboxamide
SMILESO=C(NCC(O)C(F)F)c1csc(-c2ccsc2)n1
InChIInChI=1S/C11H10F2N2O2S2/c12-9(13)8(16)3-14-10(17)7-5-19-11(15-7)6-1-2-18-4-6/h1-2,4-5,8-9,16H,3H2,(H,14,17)
InChIKeyXDYCAIXIVCKJFK-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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Frequently Asked Questions

What is the IUPAC name of N-(3,3-difluoro-2-hydroxypropyl)-2-thiophen-3-yl-1,3-thiazole-4-carboxamide?
The IUPAC name of N-(3,3-difluoro-2-hydroxypropyl)-2-thiophen-3-yl-1,3-thiazole-4-carboxamide (CID 103769877) is N-(3,3-difluoro-2-hydroxypropyl)-2-thiophen-3-yl-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-(3,3-difluoro-2-hydroxypropyl)-2-thiophen-3-yl-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-(3,3-difluoro-2-hydroxypropyl)-2-thiophen-3-yl-1,3-thiazole-4-carboxamide is O=C(NCC(O)C(F)F)c1csc(-c2ccsc2)n1.
What is the InChIKey of N-(3,3-difluoro-2-hydroxypropyl)-2-thiophen-3-yl-1,3-thiazole-4-carboxamide?
The InChIKey is XDYCAIXIVCKJFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F2N2O2S2/c12-9(13)8(16)3-14-10(17)7-5-19-11(15-7)6-1-2-18-4-6/h1-2,4-5,8-9,16H,3H2,(H,14,17).
What are the key properties of N-(3,3-difluoro-2-hydroxypropyl)-2-thiophen-3-yl-1,3-thiazole-4-carboxamide?
N-(3,3-difluoro-2-hydroxypropyl)-2-thiophen-3-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-(3,3-difluoro-2-hydroxypropyl)-2-thiophen-3-yl-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 103769877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).