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

C16H19N3O2S — CID 59733088

IUPAC1-[5-methyl-2-(3-methylbutanoyl)phenyl]-3-(1,3-thiazol-2-yl)urea
SMILESCc1ccc(C(=O)CC(C)C)c(NC(=O)Nc2nccs2)c1
InChIInChI=1S/C16H19N3O2S/c1-10(2)8-14(20)12-5-4-11(3)9-13(12)18-15(21)19-16-17-6-7-22-16/h4-7,9-10H,8H2,1-3H3,(H2,17,18,19,21)
InChIKeyDEYBMHLEPAWRMS-UHFFFAOYSA-N
MW317.41 g/mol
LogP4.32
Rot. Bonds5

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

1-[5-methyl-2-(3-methylbutanoyl)phenyl]-3-(1,3-thiazol-2-yl)urea (PubChem CID 59733088) has the molecular formula C16H19N3O2S and a molecular weight of 317.41 g/mol. Its IUPAC name is 1-[5-methyl-2-(3-methylbutanoyl)phenyl]-3-(1,3-thiazol-2-yl)urea.

Molecular Properties

Compound Name1-[5-methyl-2-(3-methylbutanoyl)phenyl]-3-(1,3-thiazol-2-yl)urea
PubChem CID59733088
Molecular FormulaC16H19N3O2S
Molecular Weight317.41 g/mol
Exact Mass317.12
IUPAC Name1-[5-methyl-2-(3-methylbutanoyl)phenyl]-3-(1,3-thiazol-2-yl)urea
SMILESCc1ccc(C(=O)CC(C)C)c(NC(=O)Nc2nccs2)c1
InChIInChI=1S/C16H19N3O2S/c1-10(2)8-14(20)12-5-4-11(3)9-13(12)18-15(21)19-16-17-6-7-22-16/h4-7,9-10H,8H2,1-3H3,(H2,17,18,19,21)
InChIKeyDEYBMHLEPAWRMS-UHFFFAOYSA-N
XLogP4.32
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.41
LogP ≤ 54.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-[5-methyl-2-(3-methylbutanoyl)phenyl]-3-(1,3-thiazol-2-yl)urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[2,6-dimethyl-5-(1,3-thiazol-2-ylcarbamoylamino)-3-pyridinyl]-3-(1,3-thiazol-2-yl)urea
CID 2401380
2,4-dimethyl-N-(1,3-thiazol-2-yl)benzamide
CID 953286
1-(4-methyl-2-piperidin-1-ylphenyl)-3-(1,3-thiazol-2-yl)urea
CID 59732966
1-[4-methyl-2-(3-methylbut-2-enoxy)phenyl]-3-(1,3-thiazol-2-yl)urea
CID 59733134
1-(4-methyl-2-pentylsulfinylphenyl)-3-(1,3-thiazol-2-yl)urea
CID 174531548
1-[2-(cyclopentylmethoxy)-4-methylphenyl]-3-(1,3-thiazol-2-yl)urea
CID 59732830
1-[2-(2,3-dimethoxyphenoxy)-4-methylphenyl]-3-(1,3-thiazol-2-yl)urea
CID 59733062
(2R)-2-(4-methylphenyl)sulfanyl-N-(1,3-thiazol-2-yl)propanamide
CID 2232967
1-(1-hydroxypropan-2-yl)-3-(1,3-thiazol-2-yl)urea
CID 47193219
1-[5-fluoro-2-(thiophene-2-carbonyl)phenyl]-3-(1,3-thiazol-2-yl)urea
CID 59733091
4-methyl-2-[2-(1,3-thiazol-2-yl)propylamino]benzoic acid
CID 114127990
N-[4-(1,3-thiazol-2-ylcarbamoylamino)phenyl]acetamide
CID 47148362

Frequently Asked Questions

What is the IUPAC name of 1-[5-methyl-2-(3-methylbutanoyl)phenyl]-3-(1,3-thiazol-2-yl)urea?
The IUPAC name of 1-[5-methyl-2-(3-methylbutanoyl)phenyl]-3-(1,3-thiazol-2-yl)urea (CID 59733088) is 1-[5-methyl-2-(3-methylbutanoyl)phenyl]-3-(1,3-thiazol-2-yl)urea.
What is the SMILES notation for 1-[5-methyl-2-(3-methylbutanoyl)phenyl]-3-(1,3-thiazol-2-yl)urea?
The canonical SMILES for 1-[5-methyl-2-(3-methylbutanoyl)phenyl]-3-(1,3-thiazol-2-yl)urea is Cc1ccc(C(=O)CC(C)C)c(NC(=O)Nc2nccs2)c1.
What is the InChIKey of 1-[5-methyl-2-(3-methylbutanoyl)phenyl]-3-(1,3-thiazol-2-yl)urea?
The InChIKey is DEYBMHLEPAWRMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O2S/c1-10(2)8-14(20)12-5-4-11(3)9-13(12)18-15(21)19-16-17-6-7-22-16/h4-7,9-10H,8H2,1-3H3,(H2,17,18,19,21).
What are the key properties of 1-[5-methyl-2-(3-methylbutanoyl)phenyl]-3-(1,3-thiazol-2-yl)urea?
1-[5-methyl-2-(3-methylbutanoyl)phenyl]-3-(1,3-thiazol-2-yl)urea has a molecular weight of 317.41 g/mol, XLogP of 4.32, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-methyl-2-(3-methylbutanoyl)phenyl]-3-(1,3-thiazol-2-yl)urea is sourced from PubChem (CID 59733088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).