1-(3-sulfamoylphenyl)-3-[2-(1,3-thiazol-2-yl)ethyl]urea

C12H14N4O3S2 — CID 167748185

IUPAC1-(3-sulfamoylphenyl)-3-[2-(1,3-thiazol-2-yl)ethyl]urea
SMILESNS(=O)(=O)c1cccc(NC(=O)NCCc2nccs2)c1
InChIInChI=1S/C12H14N4O3S2/c13-21(18,19)10-3-1-2-9(8-10)16-12(17)15-5-4-11-14-6-7-20-11/h1-3,6-8H,4-5H2,(H2,13,18,19)(H2,15,16,17)
InChIKeyNNIUCAPPEQJIBF-UHFFFAOYSA-N
MW326.40 g/mol
LogP1.15
Rot. Bonds5

About 1-(3-sulfamoylphenyl)-3-[2-(1,3-thiazol-2-yl)ethyl]urea

1-(3-sulfamoylphenyl)-3-[2-(1,3-thiazol-2-yl)ethyl]urea (PubChem CID 167748185) has the molecular formula C12H14N4O3S2 and a molecular weight of 326.40 g/mol. Its IUPAC name is 1-(3-sulfamoylphenyl)-3-[2-(1,3-thiazol-2-yl)ethyl]urea.

Molecular Properties

Compound Name1-(3-sulfamoylphenyl)-3-[2-(1,3-thiazol-2-yl)ethyl]urea
PubChem CID167748185
Molecular FormulaC12H14N4O3S2
Molecular Weight326.40 g/mol
Exact Mass326.05
IUPAC Name1-(3-sulfamoylphenyl)-3-[2-(1,3-thiazol-2-yl)ethyl]urea
SMILESNS(=O)(=O)c1cccc(NC(=O)NCCc2nccs2)c1
InChIInChI=1S/C12H14N4O3S2/c13-21(18,19)10-3-1-2-9(8-10)16-12(17)15-5-4-11-14-6-7-20-11/h1-3,6-8H,4-5H2,(H2,13,18,19)(H2,15,16,17)
InChIKeyNNIUCAPPEQJIBF-UHFFFAOYSA-N
XLogP1.15
TPSA114.18 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 51.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

1-(4-chlorophenyl)-3-[2-(1,3-thiazol-2-yl)ethyl]urea
CID 49470404
2-[4-[2-(1,3-thiazol-2-yl)ethylcarbamoylamino]phenyl]acetic acid
CID 63241030
1-(3-chlorophenyl)-3-[2-(4-sulfamoylphenyl)ethyl]urea
CID 1203825
1-[2-(3,5-dimethylpiperidin-1-yl)ethyl]-3-(3-sulfamoylphenyl)urea
CID 55820095
3-ethyl-N-(3-sulfamoylphenyl)thiophene-2-carboxamide
CID 78969242
2-(benzenesulfonamido)-N-[2-(1,3-thiazol-2-yl)ethyl]acetamide
CID 110446219
1-(2-hydroxyethyl)-3-[3-(1,3-thiazol-2-yl)phenyl]urea
CID 47442231
N-(3-sulfamoylphenyl)thiophene-2-carboxamide
CID 2812289
1-benzyl-3-[2-(1,3-thiazol-2-yl)ethyl]urea
CID 49470436
1-[[4-(1H-pyrazol-5-yl)phenyl]methyl]-3-(3-sulfamoylphenyl)urea
CID 55909410
1-(3-methylsulfanylphenyl)-3-[2-(4-sulfamoylphenyl)ethyl]urea
CID 25041397
1-phenyl-3-[(3-sulfamoylphenyl)methyl]urea
CID 51970987

Frequently Asked Questions

What is the IUPAC name of 1-(3-sulfamoylphenyl)-3-[2-(1,3-thiazol-2-yl)ethyl]urea?
The IUPAC name of 1-(3-sulfamoylphenyl)-3-[2-(1,3-thiazol-2-yl)ethyl]urea (CID 167748185) is 1-(3-sulfamoylphenyl)-3-[2-(1,3-thiazol-2-yl)ethyl]urea.
What is the SMILES notation for 1-(3-sulfamoylphenyl)-3-[2-(1,3-thiazol-2-yl)ethyl]urea?
The canonical SMILES for 1-(3-sulfamoylphenyl)-3-[2-(1,3-thiazol-2-yl)ethyl]urea is NS(=O)(=O)c1cccc(NC(=O)NCCc2nccs2)c1.
What is the InChIKey of 1-(3-sulfamoylphenyl)-3-[2-(1,3-thiazol-2-yl)ethyl]urea?
The InChIKey is NNIUCAPPEQJIBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O3S2/c13-21(18,19)10-3-1-2-9(8-10)16-12(17)15-5-4-11-14-6-7-20-11/h1-3,6-8H,4-5H2,(H2,13,18,19)(H2,15,16,17).
What are the key properties of 1-(3-sulfamoylphenyl)-3-[2-(1,3-thiazol-2-yl)ethyl]urea?
1-(3-sulfamoylphenyl)-3-[2-(1,3-thiazol-2-yl)ethyl]urea has a molecular weight of 326.40 g/mol, XLogP of 1.15, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-sulfamoylphenyl)-3-[2-(1,3-thiazol-2-yl)ethyl]urea is sourced from PubChem (CID 167748185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).