3-(2-chlorophenyl)-1-[4-(4-cyclohexylphenyl)-1,3-thiazol-2-yl]-1-propylurea

C25H28ClN3OS — CID 22433516

IUPAC3-(2-chlorophenyl)-1-[4-(4-cyclohexylphenyl)-1,3-thiazol-2-yl]-1-propylurea
SMILESCCCN(C(=O)Nc1ccccc1Cl)c1nc(-c2ccc(C3CCCCC3)cc2)cs1
InChIInChI=1S/C25H28ClN3OS/c1-2-16-29(24(30)27-22-11-7-6-10-21(22)26)25-28-23(17-31-25)20-14-12-19(13-15-20)18-8-4-3-5-9-18/h6-7,10-15,17-18H,2-5,8-9,16H2,1H3,(H,27,30)
InChIKeyZACFSONIULIEHW-UHFFFAOYSA-N
MW454.04 g/mol
LogP7.96
Rot. Bonds6

About 3-(2-chlorophenyl)-1-[4-(4-cyclohexylphenyl)-1,3-thiazol-2-yl]-1-propylurea

3-(2-chlorophenyl)-1-[4-(4-cyclohexylphenyl)-1,3-thiazol-2-yl]-1-propylurea (PubChem CID 22433516) has the molecular formula C25H28ClN3OS and a molecular weight of 454.04 g/mol. Its IUPAC name is 3-(2-chlorophenyl)-1-[4-(4-cyclohexylphenyl)-1,3-thiazol-2-yl]-1-propylurea.

Molecular Properties

Compound Name3-(2-chlorophenyl)-1-[4-(4-cyclohexylphenyl)-1,3-thiazol-2-yl]-1-propylurea
PubChem CID22433516
Molecular FormulaC25H28ClN3OS
Molecular Weight454.04 g/mol
Exact Mass453.16
IUPAC Name3-(2-chlorophenyl)-1-[4-(4-cyclohexylphenyl)-1,3-thiazol-2-yl]-1-propylurea
SMILESCCCN(C(=O)Nc1ccccc1Cl)c1nc(-c2ccc(C3CCCCC3)cc2)cs1
InChIInChI=1S/C25H28ClN3OS/c1-2-16-29(24(30)27-22-11-7-6-10-21(22)26)25-28-23(17-31-25)20-14-12-19(13-15-20)18-8-4-3-5-9-18/h6-7,10-15,17-18H,2-5,8-9,16H2,1H3,(H,27,30)
InChIKeyZACFSONIULIEHW-UHFFFAOYSA-N
XLogP7.96
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500454.04
LogP ≤ 57.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-(4-cyclohexylphenyl)-1,3-thiazol-2-yl]-3-(2-methoxyphenyl)-1-propylurea
CID 22433513
1-[4-(4-cyclohexylphenyl)-1,3-thiazol-2-yl]-3-(2,3-dimethylphenyl)-1-propylurea
CID 22433512
3-(3-acetylphenyl)-1-[4-(4-cyclohexylphenyl)-1,3-thiazol-2-yl]-1-propylurea
CID 22433484
3-(2-chlorophenyl)-1-ethyl-1-(4-phenyl-1,3-thiazol-2-yl)urea
CID 22433545
3-(2,5-dimethoxyphenyl)-1-(4-phenyl-1,3-thiazol-2-yl)-1-propylurea
CID 22433461
3-(3-acetylphenyl)-1-(4-phenyl-1,3-thiazol-2-yl)-1-propylurea
CID 22433456
1-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-3-(2-chloro-4-methylphenyl)-1-ethylurea
CID 22433491
N-[3-(diethylamino)propyl]-N-(4-phenyl-1,3-thiazol-2-yl)cyclohexanecarboxamide;oxalic acid
CID 171667862
O-ethyl [2-[[4-(4-cyclohexylphenyl)-1,3-thiazol-2-yl]-prop-2-enylamino]-2-oxoethyl]sulfanylmethanethioate
CID 3930109
4-cyclohexyl-N-[4-[2-[(4-formylphenyl)methyl-propan-2-ylamino]-1,3-thiazol-4-yl]phenyl]benzamide
CID 142249323
N-[4-[2-[cyclohexyl(methyl)amino]-1,3-thiazol-4-yl]phenyl]propanamide
CID 810324
N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-N-methylcyclohexanecarboxamide
CID 1175967

Frequently Asked Questions

What is the IUPAC name of 3-(2-chlorophenyl)-1-[4-(4-cyclohexylphenyl)-1,3-thiazol-2-yl]-1-propylurea?
The IUPAC name of 3-(2-chlorophenyl)-1-[4-(4-cyclohexylphenyl)-1,3-thiazol-2-yl]-1-propylurea (CID 22433516) is 3-(2-chlorophenyl)-1-[4-(4-cyclohexylphenyl)-1,3-thiazol-2-yl]-1-propylurea.
What is the SMILES notation for 3-(2-chlorophenyl)-1-[4-(4-cyclohexylphenyl)-1,3-thiazol-2-yl]-1-propylurea?
The canonical SMILES for 3-(2-chlorophenyl)-1-[4-(4-cyclohexylphenyl)-1,3-thiazol-2-yl]-1-propylurea is CCCN(C(=O)Nc1ccccc1Cl)c1nc(-c2ccc(C3CCCCC3)cc2)cs1.
What is the InChIKey of 3-(2-chlorophenyl)-1-[4-(4-cyclohexylphenyl)-1,3-thiazol-2-yl]-1-propylurea?
The InChIKey is ZACFSONIULIEHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28ClN3OS/c1-2-16-29(24(30)27-22-11-7-6-10-21(22)26)25-28-23(17-31-25)20-14-12-19(13-15-20)18-8-4-3-5-9-18/h6-7,10-15,17-18H,2-5,8-9,16H2,1H3,(H,27,30).
What are the key properties of 3-(2-chlorophenyl)-1-[4-(4-cyclohexylphenyl)-1,3-thiazol-2-yl]-1-propylurea?
3-(2-chlorophenyl)-1-[4-(4-cyclohexylphenyl)-1,3-thiazol-2-yl]-1-propylurea has a molecular weight of 454.04 g/mol, XLogP of 7.96, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chlorophenyl)-1-[4-(4-cyclohexylphenyl)-1,3-thiazol-2-yl]-1-propylurea is sourced from PubChem (CID 22433516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).