[2-tert-butyl-4-(3-chlorophenyl)-1,3-thiazol-5-yl]methylurea

C15H18ClN3OS — CID 142737984

IUPAC[2-tert-butyl-4-(3-chlorophenyl)-1,3-thiazol-5-yl]methylurea
SMILESCC(C)(C)c1nc(-c2cccc(Cl)c2)c(CNC(N)=O)s1
InChIInChI=1S/C15H18ClN3OS/c1-15(2,3)13-19-12(9-5-4-6-10(16)7-9)11(21-13)8-18-14(17)20/h4-7H,8H2,1-3H3,(H3,17,18,20)
InChIKeyNKGNEVKVGOWCFZ-UHFFFAOYSA-N
MW323.85 g/mol
LogP3.93
Rot. Bonds3

About [2-tert-butyl-4-(3-chlorophenyl)-1,3-thiazol-5-yl]methylurea

[2-tert-butyl-4-(3-chlorophenyl)-1,3-thiazol-5-yl]methylurea (PubChem CID 142737984) has the molecular formula C15H18ClN3OS and a molecular weight of 323.85 g/mol. Its IUPAC name is [2-tert-butyl-4-(3-chlorophenyl)-1,3-thiazol-5-yl]methylurea.

Molecular Properties

Compound Name[2-tert-butyl-4-(3-chlorophenyl)-1,3-thiazol-5-yl]methylurea
PubChem CID142737984
Molecular FormulaC15H18ClN3OS
Molecular Weight323.85 g/mol
Exact Mass323.09
IUPAC Name[2-tert-butyl-4-(3-chlorophenyl)-1,3-thiazol-5-yl]methylurea
SMILESCC(C)(C)c1nc(-c2cccc(Cl)c2)c(CNC(N)=O)s1
InChIInChI=1S/C15H18ClN3OS/c1-15(2,3)13-19-12(9-5-4-6-10(16)7-9)11(21-13)8-18-14(17)20/h4-7H,8H2,1-3H3,(H3,17,18,20)
InChIKeyNKGNEVKVGOWCFZ-UHFFFAOYSA-N
XLogP3.93
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.85
LogP ≤ 53.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze [2-tert-butyl-4-(3-chlorophenyl)-1,3-thiazol-5-yl]methylurea 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-tert-butyl-4-(3-chlorophenyl)-1,3-thiazol-5-yl]methyl]-3-isoquinolin-6-ylurea
CID 121364850
1-[[2-tert-butyl-4-(3-chlorophenyl)-1,3-thiazol-5-yl]methyl]-3-[6-(2-hydroxyethyl)-3-pyridinyl]urea
CID 121364835
N-[[2-tert-butyl-4-(3-chlorophenyl)-1,3-thiazol-5-yl]methyl]-2-[3-fluoro-4-(hydroxymethyl)phenyl]propanamide
CID 121364819
methyl 2-tert-butyl-4-(3-chlorophenyl)-1,3-thiazole-5-carboxylate
CID 121364830
2-[4-(3-chlorophenyl)-2-methyl-1,3-thiazol-5-yl]acetic acid
CID 82092406
N-[(2-tert-butyl-4-phenyl-1,3-thiazol-5-yl)methyl]-2-methylpropan-2-amine
CID 81178207
N-[(2-tert-butyl-4-phenyl-1,3-thiazol-5-yl)methyl]cyclopropanamine
CID 81174433
2-amino-N-[5-(3-chlorophenyl)-1,3,4-thiadiazol-2-yl]-2-methylpentanamide
CID 119745197
N-[[4-(3-chlorophenyl)-2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]-2-[5-fluoro-6-(2-methylsulfonylethyl)-3-pyridinyl]propanamide
CID 121364821
2-tert-butyl-4-phenyl-1,3-thiazole-5-carboxamide
CID 170588418
2-tert-butyl-4-(3-carboxyphenyl)-1,3-thiazole-5-carboxylic acid
CID 69476873
2-amino-4-(3-chlorophenyl)-1,3-thiazole-5-carboxamide
CID 16658823

Frequently Asked Questions

What is the IUPAC name of [2-tert-butyl-4-(3-chlorophenyl)-1,3-thiazol-5-yl]methylurea?
The IUPAC name of [2-tert-butyl-4-(3-chlorophenyl)-1,3-thiazol-5-yl]methylurea (CID 142737984) is [2-tert-butyl-4-(3-chlorophenyl)-1,3-thiazol-5-yl]methylurea.
What is the SMILES notation for [2-tert-butyl-4-(3-chlorophenyl)-1,3-thiazol-5-yl]methylurea?
The canonical SMILES for [2-tert-butyl-4-(3-chlorophenyl)-1,3-thiazol-5-yl]methylurea is CC(C)(C)c1nc(-c2cccc(Cl)c2)c(CNC(N)=O)s1.
What is the InChIKey of [2-tert-butyl-4-(3-chlorophenyl)-1,3-thiazol-5-yl]methylurea?
The InChIKey is NKGNEVKVGOWCFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClN3OS/c1-15(2,3)13-19-12(9-5-4-6-10(16)7-9)11(21-13)8-18-14(17)20/h4-7H,8H2,1-3H3,(H3,17,18,20).
What are the key properties of [2-tert-butyl-4-(3-chlorophenyl)-1,3-thiazol-5-yl]methylurea?
[2-tert-butyl-4-(3-chlorophenyl)-1,3-thiazol-5-yl]methylurea has a molecular weight of 323.85 g/mol, XLogP of 3.93, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-tert-butyl-4-(3-chlorophenyl)-1,3-thiazol-5-yl]methylurea is sourced from PubChem (CID 142737984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).