1-[3-(dimethylsulfamoyl)phenyl]-3-[(2-methyl-1,3-thiazol-5-yl)methyl]urea

C14H18N4O3S2 — CID 86842053

IUPAC1-[3-(dimethylsulfamoyl)phenyl]-3-[(2-methyl-1,3-thiazol-5-yl)methyl]urea
SMILESCc1ncc(CNC(=O)Nc2cccc(S(=O)(=O)N(C)C)c2)s1
InChIInChI=1S/C14H18N4O3S2/c1-10-15-8-12(22-10)9-16-14(19)17-11-5-4-6-13(7-11)23(20,21)18(2)3/h4-8H,9H2,1-3H3,(H2,16,17,19)
InChIKeyFAIMAGSHIHRSAL-UHFFFAOYSA-N
MW354.46 g/mol
LogP2.02
Rot. Bonds5

About 1-[3-(dimethylsulfamoyl)phenyl]-3-[(2-methyl-1,3-thiazol-5-yl)methyl]urea

1-[3-(dimethylsulfamoyl)phenyl]-3-[(2-methyl-1,3-thiazol-5-yl)methyl]urea (PubChem CID 86842053) has the molecular formula C14H18N4O3S2 and a molecular weight of 354.46 g/mol. Its IUPAC name is 1-[3-(dimethylsulfamoyl)phenyl]-3-[(2-methyl-1,3-thiazol-5-yl)methyl]urea.

Molecular Properties

Compound Name1-[3-(dimethylsulfamoyl)phenyl]-3-[(2-methyl-1,3-thiazol-5-yl)methyl]urea
PubChem CID86842053
Molecular FormulaC14H18N4O3S2
Molecular Weight354.46 g/mol
Exact Mass354.08
IUPAC Name1-[3-(dimethylsulfamoyl)phenyl]-3-[(2-methyl-1,3-thiazol-5-yl)methyl]urea
SMILESCc1ncc(CNC(=O)Nc2cccc(S(=O)(=O)N(C)C)c2)s1
InChIInChI=1S/C14H18N4O3S2/c1-10-15-8-12(22-10)9-16-14(19)17-11-5-4-6-13(7-11)23(20,21)18(2)3/h4-8H,9H2,1-3H3,(H2,16,17,19)
InChIKeyFAIMAGSHIHRSAL-UHFFFAOYSA-N
XLogP2.02
TPSA91.40 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.46
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-(3-acetylphenyl)-3-[(2-methyl-1,3-thiazol-5-yl)methyl]urea
CID 61481423
1-(3-ethoxyphenyl)-3-[(2-methyl-1,3-thiazol-5-yl)methyl]urea
CID 86842157
1-[(2-methyl-1,3-thiazol-5-yl)methyl]-3-(4-phenoxyphenyl)urea
CID 86842046
1-[3-(dimethylsulfamoyl)phenyl]-3-(4-hydroxyphenyl)urea
CID 122150681
1-[3-(dimethylsulfamoyl)phenyl]-3-(3-phenylpropyl)urea
CID 86986671
1-[3-(dimethylsulfamoyl)phenyl]-3-(3,3-diphenylpropyl)urea
CID 52592042
N,N,3,4-tetramethyl-5-[(2-methyl-1,3-thiazol-5-yl)methylamino]benzenesulfonamide
CID 71998043
1-[[4-(dimethylsulfamoyl)phenyl]methyl]-3-(3-fluorophenyl)urea
CID 55739918
N-[3-(dimethylsulfamoyl)phenyl]-4,5-dimethylthiophene-2-carboxamide
CID 31506049
1-[3-(dimethylsulfamoyl)phenyl]-3-(3,5,7-trimethyl-1-adamantyl)urea
CID 3599813
3-bromo-2-[(2-methyl-1,3-thiazol-5-yl)methylcarbamoylamino]benzoic acid
CID 63113715
2-bromo-5-(diethylsulfamoyl)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]benzamide
CID 86836069

Frequently Asked Questions

What is the IUPAC name of 1-[3-(dimethylsulfamoyl)phenyl]-3-[(2-methyl-1,3-thiazol-5-yl)methyl]urea?
The IUPAC name of 1-[3-(dimethylsulfamoyl)phenyl]-3-[(2-methyl-1,3-thiazol-5-yl)methyl]urea (CID 86842053) is 1-[3-(dimethylsulfamoyl)phenyl]-3-[(2-methyl-1,3-thiazol-5-yl)methyl]urea.
What is the SMILES notation for 1-[3-(dimethylsulfamoyl)phenyl]-3-[(2-methyl-1,3-thiazol-5-yl)methyl]urea?
The canonical SMILES for 1-[3-(dimethylsulfamoyl)phenyl]-3-[(2-methyl-1,3-thiazol-5-yl)methyl]urea is Cc1ncc(CNC(=O)Nc2cccc(S(=O)(=O)N(C)C)c2)s1.
What is the InChIKey of 1-[3-(dimethylsulfamoyl)phenyl]-3-[(2-methyl-1,3-thiazol-5-yl)methyl]urea?
The InChIKey is FAIMAGSHIHRSAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O3S2/c1-10-15-8-12(22-10)9-16-14(19)17-11-5-4-6-13(7-11)23(20,21)18(2)3/h4-8H,9H2,1-3H3,(H2,16,17,19).
What are the key properties of 1-[3-(dimethylsulfamoyl)phenyl]-3-[(2-methyl-1,3-thiazol-5-yl)methyl]urea?
1-[3-(dimethylsulfamoyl)phenyl]-3-[(2-methyl-1,3-thiazol-5-yl)methyl]urea has a molecular weight of 354.46 g/mol, XLogP of 2.02, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(dimethylsulfamoyl)phenyl]-3-[(2-methyl-1,3-thiazol-5-yl)methyl]urea is sourced from PubChem (CID 86842053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).