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

C26H31N3O2S — CID 22433513

IUPAC1-[4-(4-cyclohexylphenyl)-1,3-thiazol-2-yl]-3-(2-methoxyphenyl)-1-propylurea
SMILESCCCN(C(=O)Nc1ccccc1OC)c1nc(-c2ccc(C3CCCCC3)cc2)cs1
InChIInChI=1S/C26H31N3O2S/c1-3-17-29(25(30)27-22-11-7-8-12-24(22)31-2)26-28-23(18-32-26)21-15-13-20(14-16-21)19-9-5-4-6-10-19/h7-8,11-16,18-19H,3-6,9-10,17H2,1-2H3,(H,27,30)
InChIKeyDGQCQLDNZYOJDA-UHFFFAOYSA-N
MW449.62 g/mol
LogP7.31
Rot. Bonds7

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

1-[4-(4-cyclohexylphenyl)-1,3-thiazol-2-yl]-3-(2-methoxyphenyl)-1-propylurea (PubChem CID 22433513) has the molecular formula C26H31N3O2S and a molecular weight of 449.62 g/mol. Its IUPAC name is 1-[4-(4-cyclohexylphenyl)-1,3-thiazol-2-yl]-3-(2-methoxyphenyl)-1-propylurea.

Molecular Properties

Compound Name1-[4-(4-cyclohexylphenyl)-1,3-thiazol-2-yl]-3-(2-methoxyphenyl)-1-propylurea
PubChem CID22433513
Molecular FormulaC26H31N3O2S
Molecular Weight449.62 g/mol
Exact Mass449.21
IUPAC Name1-[4-(4-cyclohexylphenyl)-1,3-thiazol-2-yl]-3-(2-methoxyphenyl)-1-propylurea
SMILESCCCN(C(=O)Nc1ccccc1OC)c1nc(-c2ccc(C3CCCCC3)cc2)cs1
InChIInChI=1S/C26H31N3O2S/c1-3-17-29(25(30)27-22-11-7-8-12-24(22)31-2)26-28-23(18-32-26)21-15-13-20(14-16-21)19-9-5-4-6-10-19/h7-8,11-16,18-19H,3-6,9-10,17H2,1-2H3,(H,27,30)
InChIKeyDGQCQLDNZYOJDA-UHFFFAOYSA-N
XLogP7.31
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500449.62
LogP ≤ 57.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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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-(2,3-dimethylphenyl)-1-propylurea
CID 22433512
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-(2,5-dimethoxyphenyl)-1-(4-phenyl-1,3-thiazol-2-yl)-1-propylurea
CID 22433461
1-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-3-(2-methoxyphenyl)-1-(3,4,5,6-tetrahydro-2H-azepin-7-yl)urea
CID 30596784
3-(3-acetylphenyl)-1-(4-phenyl-1,3-thiazol-2-yl)-1-propylurea
CID 22433456
3-(2-chlorophenyl)-1-ethyl-1-(4-phenyl-1,3-thiazol-2-yl)urea
CID 22433545
O-ethyl [2-[[4-(4-cyclohexylphenyl)-1,3-thiazol-2-yl]-prop-2-enylamino]-2-oxoethyl]sulfanylmethanethioate
CID 3930109
(2R)-N-(2-methoxyphenyl)-2-(4-methoxyphenyl)azepane-1-carboxamide
CID 41013165
N-cyclooctyl-2-[[2-(2-methoxyanilino)-2-oxoethyl]-propylamino]acetamide
CID 27098874
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-methoxyphenyl)-1-propylurea?
The IUPAC name of 1-[4-(4-cyclohexylphenyl)-1,3-thiazol-2-yl]-3-(2-methoxyphenyl)-1-propylurea (CID 22433513) is 1-[4-(4-cyclohexylphenyl)-1,3-thiazol-2-yl]-3-(2-methoxyphenyl)-1-propylurea.
What is the SMILES notation for 1-[4-(4-cyclohexylphenyl)-1,3-thiazol-2-yl]-3-(2-methoxyphenyl)-1-propylurea?
The canonical SMILES for 1-[4-(4-cyclohexylphenyl)-1,3-thiazol-2-yl]-3-(2-methoxyphenyl)-1-propylurea is CCCN(C(=O)Nc1ccccc1OC)c1nc(-c2ccc(C3CCCCC3)cc2)cs1.
What is the InChIKey of 1-[4-(4-cyclohexylphenyl)-1,3-thiazol-2-yl]-3-(2-methoxyphenyl)-1-propylurea?
The InChIKey is DGQCQLDNZYOJDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31N3O2S/c1-3-17-29(25(30)27-22-11-7-8-12-24(22)31-2)26-28-23(18-32-26)21-15-13-20(14-16-21)19-9-5-4-6-10-19/h7-8,11-16,18-19H,3-6,9-10,17H2,1-2H3,(H,27,30).
What are the key properties of 1-[4-(4-cyclohexylphenyl)-1,3-thiazol-2-yl]-3-(2-methoxyphenyl)-1-propylurea?
1-[4-(4-cyclohexylphenyl)-1,3-thiazol-2-yl]-3-(2-methoxyphenyl)-1-propylurea has a molecular weight of 449.62 g/mol, XLogP of 7.31, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-cyclohexylphenyl)-1,3-thiazol-2-yl]-3-(2-methoxyphenyl)-1-propylurea is sourced from PubChem (CID 22433513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).