3-(3-chlorophenyl)-1-(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)-1-(1-phenylethyl)urea

C19H20ClN3OS — CID 2729368

IUPAC3-(3-chlorophenyl)-1-(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)-1-(1-phenylethyl)urea
SMILESCC1CN=C(N(C(=O)Nc2cccc(Cl)c2)C(C)c2ccccc2)S1
InChIInChI=1S/C19H20ClN3OS/c1-13-12-21-19(25-13)23(14(2)15-7-4-3-5-8-15)18(24)22-17-10-6-9-16(20)11-17/h3-11,13-14H,12H2,1-2H3,(H,22,24)
InChIKeyBDQMMSVSXWXVTE-UHFFFAOYSA-N
MW373.91 g/mol
LogP5.43
Rot. Bonds3

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

3-(3-chlorophenyl)-1-(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)-1-(1-phenylethyl)urea (PubChem CID 2729368) has the molecular formula C19H20ClN3OS and a molecular weight of 373.91 g/mol. Its IUPAC name is 3-(3-chlorophenyl)-1-(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)-1-(1-phenylethyl)urea.

Molecular Properties

Compound Name3-(3-chlorophenyl)-1-(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)-1-(1-phenylethyl)urea
PubChem CID2729368
Molecular FormulaC19H20ClN3OS
Molecular Weight373.91 g/mol
Exact Mass373.10
IUPAC Name3-(3-chlorophenyl)-1-(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)-1-(1-phenylethyl)urea
SMILESCC1CN=C(N(C(=O)Nc2cccc(Cl)c2)C(C)c2ccccc2)S1
InChIInChI=1S/C19H20ClN3OS/c1-13-12-21-19(25-13)23(14(2)15-7-4-3-5-8-15)18(24)22-17-10-6-9-16(20)11-17/h3-11,13-14H,12H2,1-2H3,(H,22,24)
InChIKeyBDQMMSVSXWXVTE-UHFFFAOYSA-N
XLogP5.43
TPSA44.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500373.91
LogP ≤ 55.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(3-chlorophenyl)-1-[(5S)-5-methyl-4,5-dihydro-1,3-thiazol-2-yl]-1-[(1R)-1-phenylethyl]urea
CID 6977203
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-(4-methyl-2-pyridinyl)urea
CID 2729364
1-(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)-1-(3-methylphenyl)-3-phenylurea
CID 562427
1-[(5S)-5-methyl-4,5-dihydro-1,3-thiazol-2-yl]-1-(3-methylphenyl)-3-phenylurea
CID 6923880
1,1-bis[(2S)-butan-2-yl]-3-(3-chlorophenyl)urea
CID 40636276
N-(3-chlorophenyl)acetamide;N-phenylacetamide
CID 160915382
3-(3-chlorophenyl)-1-(1-phenylethyl)-1-[[4-(trifluoromethyl)phenyl]methyl]urea
CID 42696051
2-N-(3-chlorophenyl)-1-N-(1-phenylethyl)cyclopropane-1,2-dicarboxamide
CID 109135664
3-(3,4-dichlorophenyl)-1-[(5S)-5-methyl-4,5-dihydro-1,3-thiazol-2-yl]-1-(pyridin-3-ylmethyl)urea
CID 6977195
N-(3-chlorophenyl)-3-[di(propan-2-yl)amino]azetidine-1-carboxamide
CID 23139916
3-(4-chlorophenyl)-1-(3,4-dimethylphenyl)-1-(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)urea
CID 142449793

Frequently Asked Questions

What is the IUPAC name of 3-(3-chlorophenyl)-1-(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)-1-(1-phenylethyl)urea?
The IUPAC name of 3-(3-chlorophenyl)-1-(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)-1-(1-phenylethyl)urea (CID 2729368) is 3-(3-chlorophenyl)-1-(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)-1-(1-phenylethyl)urea.
What is the SMILES notation for 3-(3-chlorophenyl)-1-(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)-1-(1-phenylethyl)urea?
The canonical SMILES for 3-(3-chlorophenyl)-1-(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)-1-(1-phenylethyl)urea is CC1CN=C(N(C(=O)Nc2cccc(Cl)c2)C(C)c2ccccc2)S1.
What is the InChIKey of 3-(3-chlorophenyl)-1-(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)-1-(1-phenylethyl)urea?
The InChIKey is BDQMMSVSXWXVTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClN3OS/c1-13-12-21-19(25-13)23(14(2)15-7-4-3-5-8-15)18(24)22-17-10-6-9-16(20)11-17/h3-11,13-14H,12H2,1-2H3,(H,22,24).
What are the key properties of 3-(3-chlorophenyl)-1-(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)-1-(1-phenylethyl)urea?
3-(3-chlorophenyl)-1-(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)-1-(1-phenylethyl)urea has a molecular weight of 373.91 g/mol, XLogP of 5.43, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chlorophenyl)-1-(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)-1-(1-phenylethyl)urea is sourced from PubChem (CID 2729368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).