[3-fluoro-2-[[3-(1,3-thiazol-2-yl)phenyl]sulfonylmethyl]prop-2-enyl]carbamic acid

C14H13FN2O4S2 — CID 174215819

IUPAC[3-fluoro-2-[[3-(1,3-thiazol-2-yl)phenyl]sulfonylmethyl]prop-2-enyl]carbamic acid
SMILESO=C(O)NCC(=CF)CS(=O)(=O)c1cccc(-c2nccs2)c1
InChIInChI=1S/C14H13FN2O4S2/c15-7-10(8-17-14(18)19)9-23(20,21)12-3-1-2-11(6-12)13-16-4-5-22-13/h1-7,17H,8-9H2,(H,18,19)
InChIKeyYRSLYVOESUQJQH-UHFFFAOYSA-N
MW356.40 g/mol
LogP2.70
Rot. Bonds6

About [3-fluoro-2-[[3-(1,3-thiazol-2-yl)phenyl]sulfonylmethyl]prop-2-enyl]carbamic acid

[3-fluoro-2-[[3-(1,3-thiazol-2-yl)phenyl]sulfonylmethyl]prop-2-enyl]carbamic acid (PubChem CID 174215819) has the molecular formula C14H13FN2O4S2 and a molecular weight of 356.40 g/mol. Its IUPAC name is [3-fluoro-2-[[3-(1,3-thiazol-2-yl)phenyl]sulfonylmethyl]prop-2-enyl]carbamic acid.

Molecular Properties

Compound Name[3-fluoro-2-[[3-(1,3-thiazol-2-yl)phenyl]sulfonylmethyl]prop-2-enyl]carbamic acid
PubChem CID174215819
Molecular FormulaC14H13FN2O4S2
Molecular Weight356.40 g/mol
Exact Mass356.03
IUPAC Name[3-fluoro-2-[[3-(1,3-thiazol-2-yl)phenyl]sulfonylmethyl]prop-2-enyl]carbamic acid
SMILESO=C(O)NCC(=CF)CS(=O)(=O)c1cccc(-c2nccs2)c1
InChIInChI=1S/C14H13FN2O4S2/c15-7-10(8-17-14(18)19)9-23(20,21)12-3-1-2-11(6-12)13-16-4-5-22-13/h1-7,17H,8-9H2,(H,18,19)
InChIKeyYRSLYVOESUQJQH-UHFFFAOYSA-N
XLogP2.70
TPSA96.36 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.40
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-(1,3-Thiazol-2-yl)phenyl]sulfonylacetic acid
CID 515131
Thiazolylbenzenesulfonamide
CID 17933514
4-fluoro-N-[4-(thiazol-2-yl)benzyl]benzenesulfonamide
CID 54773958
N-tert-butyl-2,4-difluoro-3-(1,3-thiazol-2-yl)benzenesulfonamide
CID 66905754
2-[4-(2-Fluoro-3-pyridinyl)-5-(1,3-thiazol-2-ylsulfonyl)thiophen-2-yl]ethylcarbamic acid
CID 68922358
2,5-Difluoro-3-(1,3-thiazol-2-yl)benzenesulfonamide
CID 69868499
[[3-(1,3-Thiazol-2-yl)phenyl]sulfonylamino] 2,2,2-trifluoroacetate
CID 90843100
2-Fluoro-3-(1,3-thiazol-2-yl)benzenesulfonamide
CID 117655279
2-(1,3-Thiazol-2-yl)benzenesulfonamide;2,2,2-trifluoroacetic acid
CID 132145092
[2-(4-Fluorophenyl)-1,3-thiazol-5-yl]methylcarbamic acid
CID 139374970
2-(3-Fluoro-4-methylsulfonylphenyl)-1,3-thiazole
CID 151020794
[2-(2-Fluorophenyl)-1,3-thiazol-5-yl]carbamic acid
CID 152752672

Frequently Asked Questions

What is the IUPAC name of [3-fluoro-2-[[3-(1,3-thiazol-2-yl)phenyl]sulfonylmethyl]prop-2-enyl]carbamic acid?
The IUPAC name of [3-fluoro-2-[[3-(1,3-thiazol-2-yl)phenyl]sulfonylmethyl]prop-2-enyl]carbamic acid (CID 174215819) is [3-fluoro-2-[[3-(1,3-thiazol-2-yl)phenyl]sulfonylmethyl]prop-2-enyl]carbamic acid.
What is the SMILES notation for [3-fluoro-2-[[3-(1,3-thiazol-2-yl)phenyl]sulfonylmethyl]prop-2-enyl]carbamic acid?
The canonical SMILES for [3-fluoro-2-[[3-(1,3-thiazol-2-yl)phenyl]sulfonylmethyl]prop-2-enyl]carbamic acid is O=C(O)NCC(=CF)CS(=O)(=O)c1cccc(-c2nccs2)c1.
What is the InChIKey of [3-fluoro-2-[[3-(1,3-thiazol-2-yl)phenyl]sulfonylmethyl]prop-2-enyl]carbamic acid?
The InChIKey is YRSLYVOESUQJQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13FN2O4S2/c15-7-10(8-17-14(18)19)9-23(20,21)12-3-1-2-11(6-12)13-16-4-5-22-13/h1-7,17H,8-9H2,(H,18,19).
What are the key properties of [3-fluoro-2-[[3-(1,3-thiazol-2-yl)phenyl]sulfonylmethyl]prop-2-enyl]carbamic acid?
[3-fluoro-2-[[3-(1,3-thiazol-2-yl)phenyl]sulfonylmethyl]prop-2-enyl]carbamic acid has a molecular weight of 356.40 g/mol, XLogP of 2.70, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-fluoro-2-[[3-(1,3-thiazol-2-yl)phenyl]sulfonylmethyl]prop-2-enyl]carbamic acid is sourced from PubChem (CID 174215819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).