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

C27H33N3OS — CID 22433512

IUPAC1-[4-(4-cyclohexylphenyl)-1,3-thiazol-2-yl]-3-(2,3-dimethylphenyl)-1-propylurea
SMILESCCCN(C(=O)Nc1cccc(C)c1C)c1nc(-c2ccc(C3CCCCC3)cc2)cs1
InChIInChI=1S/C27H33N3OS/c1-4-17-30(26(31)28-24-12-8-9-19(2)20(24)3)27-29-25(18-32-27)23-15-13-22(14-16-23)21-10-6-5-7-11-21/h8-9,12-16,18,21H,4-7,10-11,17H2,1-3H3,(H,28,31)
InChIKeyRMUQEURAWORZRA-UHFFFAOYSA-N
MW447.65 g/mol
LogP7.92
Rot. Bonds6

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

1-[4-(4-cyclohexylphenyl)-1,3-thiazol-2-yl]-3-(2,3-dimethylphenyl)-1-propylurea (PubChem CID 22433512) has the molecular formula C27H33N3OS and a molecular weight of 447.65 g/mol. Its IUPAC name is 1-[4-(4-cyclohexylphenyl)-1,3-thiazol-2-yl]-3-(2,3-dimethylphenyl)-1-propylurea.

Molecular Properties

Compound Name1-[4-(4-cyclohexylphenyl)-1,3-thiazol-2-yl]-3-(2,3-dimethylphenyl)-1-propylurea
PubChem CID22433512
Molecular FormulaC27H33N3OS
Molecular Weight447.65 g/mol
Exact Mass447.23
IUPAC Name1-[4-(4-cyclohexylphenyl)-1,3-thiazol-2-yl]-3-(2,3-dimethylphenyl)-1-propylurea
SMILESCCCN(C(=O)Nc1cccc(C)c1C)c1nc(-c2ccc(C3CCCCC3)cc2)cs1
InChIInChI=1S/C27H33N3OS/c1-4-17-30(26(31)28-24-12-8-9-19(2)20(24)3)27-29-25(18-32-27)23-15-13-22(14-16-23)21-10-6-5-7-11-21/h8-9,12-16,18,21H,4-7,10-11,17H2,1-3H3,(H,28,31)
InChIKeyRMUQEURAWORZRA-UHFFFAOYSA-N
XLogP7.92
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500447.65
LogP ≤ 57.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2-chlorophenyl)-1-[4-(4-cyclohexylphenyl)-1,3-thiazol-2-yl]-1-propylurea
CID 22433516
1-[4-(4-cyclohexylphenyl)-1,3-thiazol-2-yl]-3-(2-methoxyphenyl)-1-propylurea
CID 22433513
3-(3-acetylphenyl)-1-[4-(4-cyclohexylphenyl)-1,3-thiazol-2-yl]-1-propylurea
CID 22433484
1-[4-(4-cyclohexylphenyl)-1,3-thiazol-2-yl]-1-ethyl-3-(2-nitrophenyl)urea
CID 28703333
3-(3-acetylphenyl)-1-(4-phenyl-1,3-thiazol-2-yl)-1-propylurea
CID 22433456
3-(2,5-dimethoxyphenyl)-1-(4-phenyl-1,3-thiazol-2-yl)-1-propylurea
CID 22433461
O-ethyl [2-[[4-(4-cyclohexylphenyl)-1,3-thiazol-2-yl]-prop-2-enylamino]-2-oxoethyl]sulfanylmethanethioate
CID 3930109
3-(2-chlorophenyl)-1-ethyl-1-(4-phenyl-1,3-thiazol-2-yl)urea
CID 22433545
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
methyl 2-[[cyclohexyl-[(2,3-dimethylphenyl)carbamoyl]amino]methyl]-1,3-thiazole-4-carboxylate
CID 5039484
4-[[4-[4-[(4-cyclohexylphenyl)methylamino]phenyl]-1,3-thiazol-2-yl]-methylamino]benzoic acid;hydrochloride
CID 69498146

Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-cyclohexylphenyl)-1,3-thiazol-2-yl]-3-(2,3-dimethylphenyl)-1-propylurea?
The IUPAC name of 1-[4-(4-cyclohexylphenyl)-1,3-thiazol-2-yl]-3-(2,3-dimethylphenyl)-1-propylurea (CID 22433512) is 1-[4-(4-cyclohexylphenyl)-1,3-thiazol-2-yl]-3-(2,3-dimethylphenyl)-1-propylurea.
What is the SMILES notation for 1-[4-(4-cyclohexylphenyl)-1,3-thiazol-2-yl]-3-(2,3-dimethylphenyl)-1-propylurea?
The canonical SMILES for 1-[4-(4-cyclohexylphenyl)-1,3-thiazol-2-yl]-3-(2,3-dimethylphenyl)-1-propylurea is CCCN(C(=O)Nc1cccc(C)c1C)c1nc(-c2ccc(C3CCCCC3)cc2)cs1.
What is the InChIKey of 1-[4-(4-cyclohexylphenyl)-1,3-thiazol-2-yl]-3-(2,3-dimethylphenyl)-1-propylurea?
The InChIKey is RMUQEURAWORZRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H33N3OS/c1-4-17-30(26(31)28-24-12-8-9-19(2)20(24)3)27-29-25(18-32-27)23-15-13-22(14-16-23)21-10-6-5-7-11-21/h8-9,12-16,18,21H,4-7,10-11,17H2,1-3H3,(H,28,31).
What are the key properties of 1-[4-(4-cyclohexylphenyl)-1,3-thiazol-2-yl]-3-(2,3-dimethylphenyl)-1-propylurea?
1-[4-(4-cyclohexylphenyl)-1,3-thiazol-2-yl]-3-(2,3-dimethylphenyl)-1-propylurea has a molecular weight of 447.65 g/mol, XLogP of 7.92, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-cyclohexylphenyl)-1,3-thiazol-2-yl]-3-(2,3-dimethylphenyl)-1-propylurea is sourced from PubChem (CID 22433512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).