4-(3-fluoro-4-hydroxyphenyl)-N-methyl-N-(sulfanylmethyl)-1,3-thiazole-2-carboxamide

C12H11FN2O2S2 — CID 90260927

IUPAC4-(3-fluoro-4-hydroxyphenyl)-N-methyl-N-(sulfanylmethyl)-1,3-thiazole-2-carboxamide
SMILESCN(CS)C(=O)c1nc(-c2ccc(O)c(F)c2)cs1
InChIInChI=1S/C12H11FN2O2S2/c1-15(6-18)12(17)11-14-9(5-19-11)7-2-3-10(16)8(13)4-7/h2-5,16,18H,6H2,1H3
InChIKeyWPZJERURBRGZPK-UHFFFAOYSA-N
MW298.36 g/mol
LogP2.61
Rot. Bonds3

About 4-(3-fluoro-4-hydroxyphenyl)-N-methyl-N-(sulfanylmethyl)-1,3-thiazole-2-carboxamide

4-(3-fluoro-4-hydroxyphenyl)-N-methyl-N-(sulfanylmethyl)-1,3-thiazole-2-carboxamide (PubChem CID 90260927) has the molecular formula C12H11FN2O2S2 and a molecular weight of 298.36 g/mol. Its IUPAC name is 4-(3-fluoro-4-hydroxyphenyl)-N-methyl-N-(sulfanylmethyl)-1,3-thiazole-2-carboxamide.

Molecular Properties

Compound Name4-(3-fluoro-4-hydroxyphenyl)-N-methyl-N-(sulfanylmethyl)-1,3-thiazole-2-carboxamide
PubChem CID90260927
Molecular FormulaC12H11FN2O2S2
Molecular Weight298.36 g/mol
Exact Mass298.02
IUPAC Name4-(3-fluoro-4-hydroxyphenyl)-N-methyl-N-(sulfanylmethyl)-1,3-thiazole-2-carboxamide
SMILESCN(CS)C(=O)c1nc(-c2ccc(O)c(F)c2)cs1
InChIInChI=1S/C12H11FN2O2S2/c1-15(6-18)12(17)11-14-9(5-19-11)7-2-3-10(16)8(13)4-7/h2-5,16,18H,6H2,1H3
InChIKeyWPZJERURBRGZPK-UHFFFAOYSA-N
XLogP2.61
TPSA53.43 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.36
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

pulicatin F
CID 136054961
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CID 591743
(5Z)-5-[[2-(4-hydroxyphenyl)-1,3-thiazol-4-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 137635684
4-(4-Methyl-1,3-thiazol-2-yl)phenol
CID 4962900
4-[2-(4-Hydroxyphenyl)-1,3-thiazol-4-yl]phenol
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2-(4-hydroxyphenyl)-N-methyl-N-(2-methylphenyl)-1,3-thiazole-4-carboxamide
CID 168287392
4-(4-Tert-butyl-1,3-thiazol-2-yl)phenol
CID 4962777
4-(4-(4-Fluorophenyl)-1,3-thiazol-2-YL)phenol
CID 135687404
[2-(2-Fluoro-4-methoxyphenyl)-1,3-thiazol-4-yl]-pyrrolidin-1-ylmethanone
CID 46066859
N,N-diethyl-2-(2-fluoro-4-methoxyphenyl)-1,3-thiazole-4-carboxamide
CID 46066861
4-[(E)-2-[4-(4-Fluorophenyl)-1,3-thiazol-2-yl]ethenyl]phenol
CID 135418204
4-(2-Ethylthiazol-4-yl)phenol
CID 19773531

Frequently Asked Questions

What is the IUPAC name of 4-(3-fluoro-4-hydroxyphenyl)-N-methyl-N-(sulfanylmethyl)-1,3-thiazole-2-carboxamide?
The IUPAC name of 4-(3-fluoro-4-hydroxyphenyl)-N-methyl-N-(sulfanylmethyl)-1,3-thiazole-2-carboxamide (CID 90260927) is 4-(3-fluoro-4-hydroxyphenyl)-N-methyl-N-(sulfanylmethyl)-1,3-thiazole-2-carboxamide.
What is the SMILES notation for 4-(3-fluoro-4-hydroxyphenyl)-N-methyl-N-(sulfanylmethyl)-1,3-thiazole-2-carboxamide?
The canonical SMILES for 4-(3-fluoro-4-hydroxyphenyl)-N-methyl-N-(sulfanylmethyl)-1,3-thiazole-2-carboxamide is CN(CS)C(=O)c1nc(-c2ccc(O)c(F)c2)cs1.
What is the InChIKey of 4-(3-fluoro-4-hydroxyphenyl)-N-methyl-N-(sulfanylmethyl)-1,3-thiazole-2-carboxamide?
The InChIKey is WPZJERURBRGZPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11FN2O2S2/c1-15(6-18)12(17)11-14-9(5-19-11)7-2-3-10(16)8(13)4-7/h2-5,16,18H,6H2,1H3.
What are the key properties of 4-(3-fluoro-4-hydroxyphenyl)-N-methyl-N-(sulfanylmethyl)-1,3-thiazole-2-carboxamide?
4-(3-fluoro-4-hydroxyphenyl)-N-methyl-N-(sulfanylmethyl)-1,3-thiazole-2-carboxamide has a molecular weight of 298.36 g/mol, XLogP of 2.61, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-fluoro-4-hydroxyphenyl)-N-methyl-N-(sulfanylmethyl)-1,3-thiazole-2-carboxamide is sourced from PubChem (CID 90260927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).