1-[5-fluoro-2-(thiophene-2-carbonyl)phenyl]-3-(1,3-thiazol-2-yl)urea

C15H10FN3O2S2 — CID 59733091

IUPAC1-[5-fluoro-2-(thiophene-2-carbonyl)phenyl]-3-(1,3-thiazol-2-yl)urea
SMILESO=C(Nc1nccs1)Nc1cc(F)ccc1C(=O)c1cccs1
InChIInChI=1S/C15H10FN3O2S2/c16-9-3-4-10(13(20)12-2-1-6-22-12)11(8-9)18-14(21)19-15-17-5-7-23-15/h1-8H,(H2,17,18,19,21)
InChIKeyDWTHIXXVXDOKEZ-UHFFFAOYSA-N
MW347.40 g/mol
LogP4.22
Rot. Bonds4

About 1-[5-fluoro-2-(thiophene-2-carbonyl)phenyl]-3-(1,3-thiazol-2-yl)urea

1-[5-fluoro-2-(thiophene-2-carbonyl)phenyl]-3-(1,3-thiazol-2-yl)urea (PubChem CID 59733091) has the molecular formula C15H10FN3O2S2 and a molecular weight of 347.40 g/mol. Its IUPAC name is 1-[5-fluoro-2-(thiophene-2-carbonyl)phenyl]-3-(1,3-thiazol-2-yl)urea.

Molecular Properties

Compound Name1-[5-fluoro-2-(thiophene-2-carbonyl)phenyl]-3-(1,3-thiazol-2-yl)urea
PubChem CID59733091
Molecular FormulaC15H10FN3O2S2
Molecular Weight347.40 g/mol
Exact Mass347.02
IUPAC Name1-[5-fluoro-2-(thiophene-2-carbonyl)phenyl]-3-(1,3-thiazol-2-yl)urea
SMILESO=C(Nc1nccs1)Nc1cc(F)ccc1C(=O)c1cccs1
InChIInChI=1S/C15H10FN3O2S2/c16-9-3-4-10(13(20)12-2-1-6-22-12)11(8-9)18-14(21)19-15-17-5-7-23-15/h1-8H,(H2,17,18,19,21)
InChIKeyDWTHIXXVXDOKEZ-UHFFFAOYSA-N
XLogP4.22
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.40
LogP ≤ 54.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-[2-(2,4-difluorophenyl)sulfanylphenyl]-3-(1,3-thiazol-2-yl)urea
CID 59732885
2-[4-fluoro-2-(1,3-thiazol-2-ylcarbamoylamino)phenoxy]-N-methylbenzamide
CID 59732796
(2,4-difluorophenyl)-thiophen-2-ylmethanone
CID 43160742
2-fluoro-6-(1,3-thiazol-2-ylcarbamoylamino)benzoic acid
CID 61187315
1-[2,6-dimethyl-5-(1,3-thiazol-2-ylcarbamoylamino)-3-pyridinyl]-3-(1,3-thiazol-2-yl)urea
CID 2401380
4-fluoro-2-nitro-N-(1,3-thiazol-2-yl)benzamide
CID 2859566
3-(1,3-thiazol-2-ylcarbamoylamino)pyridine-2-carboxylic acid
CID 113447865
N-[(2S)-1-oxo-1-(1,3-thiazol-2-ylamino)propan-2-yl]thiophene-2-carboxamide
CID 35966044
1-quinolin-3-yl-3-(1,3-thiazol-2-yl)urea
CID 47149919
1-[5-methyl-2-(3-methylbutanoyl)phenyl]-3-(1,3-thiazol-2-yl)urea
CID 59733088
1-(2,5-difluorophenyl)-3-thiophen-2-ylurea
CID 108889251
2-(2,4-difluorophenyl)-N-(1,3-thiazol-2-yl)acetamide
CID 110488848

Frequently Asked Questions

What is the IUPAC name of 1-[5-fluoro-2-(thiophene-2-carbonyl)phenyl]-3-(1,3-thiazol-2-yl)urea?
The IUPAC name of 1-[5-fluoro-2-(thiophene-2-carbonyl)phenyl]-3-(1,3-thiazol-2-yl)urea (CID 59733091) is 1-[5-fluoro-2-(thiophene-2-carbonyl)phenyl]-3-(1,3-thiazol-2-yl)urea.
What is the SMILES notation for 1-[5-fluoro-2-(thiophene-2-carbonyl)phenyl]-3-(1,3-thiazol-2-yl)urea?
The canonical SMILES for 1-[5-fluoro-2-(thiophene-2-carbonyl)phenyl]-3-(1,3-thiazol-2-yl)urea is O=C(Nc1nccs1)Nc1cc(F)ccc1C(=O)c1cccs1.
What is the InChIKey of 1-[5-fluoro-2-(thiophene-2-carbonyl)phenyl]-3-(1,3-thiazol-2-yl)urea?
The InChIKey is DWTHIXXVXDOKEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10FN3O2S2/c16-9-3-4-10(13(20)12-2-1-6-22-12)11(8-9)18-14(21)19-15-17-5-7-23-15/h1-8H,(H2,17,18,19,21).
What are the key properties of 1-[5-fluoro-2-(thiophene-2-carbonyl)phenyl]-3-(1,3-thiazol-2-yl)urea?
1-[5-fluoro-2-(thiophene-2-carbonyl)phenyl]-3-(1,3-thiazol-2-yl)urea has a molecular weight of 347.40 g/mol, XLogP of 4.22, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-fluoro-2-(thiophene-2-carbonyl)phenyl]-3-(1,3-thiazol-2-yl)urea is sourced from PubChem (CID 59733091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).