3-(4-chlorophenyl)-1-methyl-1-[(5R)-5-methyl-4,5-dihydro-1,3-thiazol-2-yl]urea

C12H14ClN3OS — CID 7039411

IUPAC3-(4-chlorophenyl)-1-methyl-1-[(5R)-5-methyl-4,5-dihydro-1,3-thiazol-2-yl]urea
SMILESC[C@@H]1CN=C(N(C)C(=O)Nc2ccc(Cl)cc2)S1
InChIInChI=1S/C12H14ClN3OS/c1-8-7-14-12(18-8)16(2)11(17)15-10-5-3-9(13)4-6-10/h3-6,8H,7H2,1-2H3,(H,15,17)/t8-/m1/s1
InChIKeyDHBIZNKAPKMZPO-MRVPVSSYSA-N
MW283.78 g/mol
LogP3.30
Rot. Bonds1

About 3-(4-chlorophenyl)-1-methyl-1-[(5R)-5-methyl-4,5-dihydro-1,3-thiazol-2-yl]urea

3-(4-chlorophenyl)-1-methyl-1-[(5R)-5-methyl-4,5-dihydro-1,3-thiazol-2-yl]urea (PubChem CID 7039411) has the molecular formula C12H14ClN3OS and a molecular weight of 283.78 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-1-methyl-1-[(5R)-5-methyl-4,5-dihydro-1,3-thiazol-2-yl]urea.

Molecular Properties

Compound Name3-(4-chlorophenyl)-1-methyl-1-[(5R)-5-methyl-4,5-dihydro-1,3-thiazol-2-yl]urea
PubChem CID7039411
Molecular FormulaC12H14ClN3OS
Molecular Weight283.78 g/mol
Exact Mass283.05
IUPAC Name3-(4-chlorophenyl)-1-methyl-1-[(5R)-5-methyl-4,5-dihydro-1,3-thiazol-2-yl]urea
SMILESC[C@@H]1CN=C(N(C)C(=O)Nc2ccc(Cl)cc2)S1
InChIInChI=1S/C12H14ClN3OS/c1-8-7-14-12(18-8)16(2)11(17)15-10-5-3-9(13)4-6-10/h3-6,8H,7H2,1-2H3,(H,15,17)/t8-/m1/s1
InChIKeyDHBIZNKAPKMZPO-MRVPVSSYSA-N
XLogP3.30
TPSA44.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.78
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-(4-chlorophenyl)-1-methyl-1-[(5R)-5-methyl-4,5-dihydro-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

3-(4-chlorophenyl)-1-(3,4-dimethylphenyl)-1-(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)urea
CID 142449793
1-(4-chlorophenyl)-3-methyl-1-[(5R)-5-methyl-4,5-dihydro-1,3-thiazol-2-yl]urea
CID 6932570
3-(3-chloro-4-fluorophenyl)-1-[(5S)-5-methyl-4,5-dihydro-1,3-thiazol-2-yl]-1-propan-2-ylurea
CID 7072990
1-[(5R)-5-methyl-4,5-dihydro-1,3-thiazol-2-yl]-1,3-diphenylurea
CID 40577280
3-(4-chlorophenyl)-1-(4-hydroxyphenyl)-1-methylurea
CID 28740219
3-(3-chlorophenyl)-1-[(5R)-5-methyl-4,5-dihydro-1,3-thiazol-2-yl]-1-[(1R)-1-phenylethyl]urea
CID 6977204
3-(3-chlorophenyl)-1-(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)-1-(1-phenylethyl)urea
CID 2729368
3-(3-chlorophenyl)-1-[(5S)-5-methyl-4,5-dihydro-1,3-thiazol-2-yl]-1-[(1R)-1-phenylethyl]urea
CID 6977203
1-[(5S)-5-methyl-4,5-dihydro-1,3-thiazol-2-yl]-1-(3-methylphenyl)-3-phenylurea
CID 6923880
N-(4-chlorophenyl)-N-ethyl-5-methyl-4,5-dihydro-1,3-thiazol-2-amine
CID 620033
1-(3-acetylphenyl)-1-(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)-3-pyridin-4-ylurea
CID 5311698
3-(4-chlorophenyl)-1-[(1R,2S)-2-hydroxycyclohexyl]-1-methylurea
CID 95706051

Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-1-methyl-1-[(5R)-5-methyl-4,5-dihydro-1,3-thiazol-2-yl]urea?
The IUPAC name of 3-(4-chlorophenyl)-1-methyl-1-[(5R)-5-methyl-4,5-dihydro-1,3-thiazol-2-yl]urea (CID 7039411) is 3-(4-chlorophenyl)-1-methyl-1-[(5R)-5-methyl-4,5-dihydro-1,3-thiazol-2-yl]urea.
What is the SMILES notation for 3-(4-chlorophenyl)-1-methyl-1-[(5R)-5-methyl-4,5-dihydro-1,3-thiazol-2-yl]urea?
The canonical SMILES for 3-(4-chlorophenyl)-1-methyl-1-[(5R)-5-methyl-4,5-dihydro-1,3-thiazol-2-yl]urea is C[C@@H]1CN=C(N(C)C(=O)Nc2ccc(Cl)cc2)S1.
What is the InChIKey of 3-(4-chlorophenyl)-1-methyl-1-[(5R)-5-methyl-4,5-dihydro-1,3-thiazol-2-yl]urea?
The InChIKey is DHBIZNKAPKMZPO-MRVPVSSYSA-N. The full InChI is InChI=1S/C12H14ClN3OS/c1-8-7-14-12(18-8)16(2)11(17)15-10-5-3-9(13)4-6-10/h3-6,8H,7H2,1-2H3,(H,15,17)/t8-/m1/s1.
What are the key properties of 3-(4-chlorophenyl)-1-methyl-1-[(5R)-5-methyl-4,5-dihydro-1,3-thiazol-2-yl]urea?
3-(4-chlorophenyl)-1-methyl-1-[(5R)-5-methyl-4,5-dihydro-1,3-thiazol-2-yl]urea has a molecular weight of 283.78 g/mol, XLogP of 3.30, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-1-methyl-1-[(5R)-5-methyl-4,5-dihydro-1,3-thiazol-2-yl]urea is sourced from PubChem (CID 7039411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).