1-(4-hydroxycyclohexyl)-3-(4-propan-2-ylphenyl)thiourea

C16H24N2OS — CID 8627679

IUPAC1-(4-hydroxycyclohexyl)-3-(4-propan-2-ylphenyl)thiourea
SMILESCC(C)c1ccc(NC(=S)NC2CCC(O)CC2)cc1
InChIInChI=1S/C16H24N2OS/c1-11(2)12-3-5-13(6-4-12)17-16(20)18-14-7-9-15(19)10-8-14/h3-6,11,14-15,19H,7-10H2,1-2H3,(H2,17,18,20)
InChIKeyNKNHDKHIDMDIKF-UHFFFAOYSA-N
MW292.45 g/mol
LogP3.40
Rot. Bonds3

About 1-(4-hydroxycyclohexyl)-3-(4-propan-2-ylphenyl)thiourea

1-(4-hydroxycyclohexyl)-3-(4-propan-2-ylphenyl)thiourea (PubChem CID 8627679) has the molecular formula C16H24N2OS and a molecular weight of 292.45 g/mol. Its IUPAC name is 1-(4-hydroxycyclohexyl)-3-(4-propan-2-ylphenyl)thiourea.

Molecular Properties

Compound Name1-(4-hydroxycyclohexyl)-3-(4-propan-2-ylphenyl)thiourea
PubChem CID8627679
Molecular FormulaC16H24N2OS
Molecular Weight292.45 g/mol
Exact Mass292.16
IUPAC Name1-(4-hydroxycyclohexyl)-3-(4-propan-2-ylphenyl)thiourea
SMILESCC(C)c1ccc(NC(=S)NC2CCC(O)CC2)cc1
InChIInChI=1S/C16H24N2OS/c1-11(2)12-3-5-13(6-4-12)17-16(20)18-14-7-9-15(19)10-8-14/h3-6,11,14-15,19H,7-10H2,1-2H3,(H2,17,18,20)
InChIKeyNKNHDKHIDMDIKF-UHFFFAOYSA-N
XLogP3.40
TPSA44.29 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.45
LogP ≤ 53.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

1-(3-chloro-4-fluorophenyl)-3-(4-hydroxycyclohexyl)thiourea
CID 8669353
1-(2-bicyclo[2.2.1]heptanyl)-3-(4-propan-2-ylphenyl)thiourea
CID 2809355
N-cyclopropyl-4-propan-2-ylbenzenecarbothioamide
CID 121340219
propan-2-yl 4-(cyclopropylcarbamothioylamino)benzoate
CID 8654514
1-cyclopropyl-3-(4-phenylphenyl)thiourea
CID 7942442
1-(4-propan-2-ylphenyl)-3-[1-[(3,4,5-trimethoxyphenyl)methyl]piperidin-4-yl]thiourea
CID 100571710
1-(4-chlorophenyl)-3-cyclododecylthiourea
CID 17263329
1-cyclohexyl-3-[4-(N-propan-2-ylanilino)phenyl]thiourea
CID 23795770
1-(4-hydroxycyclohexyl)-3-(4-methylphenyl)urea
CID 17412691
1-[(1R)-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]-3-(4-propan-2-ylphenyl)thiourea
CID 100728152
1-(2,4-dichlorophenyl)-3-(4-hydroxycyclohexyl)thiourea
CID 27024560
1-(2,4-dimethylphenyl)-3-(4-hydroxycyclohexyl)thiourea
CID 23932184

Frequently Asked Questions

What is the IUPAC name of 1-(4-hydroxycyclohexyl)-3-(4-propan-2-ylphenyl)thiourea?
The IUPAC name of 1-(4-hydroxycyclohexyl)-3-(4-propan-2-ylphenyl)thiourea (CID 8627679) is 1-(4-hydroxycyclohexyl)-3-(4-propan-2-ylphenyl)thiourea.
What is the SMILES notation for 1-(4-hydroxycyclohexyl)-3-(4-propan-2-ylphenyl)thiourea?
The canonical SMILES for 1-(4-hydroxycyclohexyl)-3-(4-propan-2-ylphenyl)thiourea is CC(C)c1ccc(NC(=S)NC2CCC(O)CC2)cc1.
What is the InChIKey of 1-(4-hydroxycyclohexyl)-3-(4-propan-2-ylphenyl)thiourea?
The InChIKey is NKNHDKHIDMDIKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2OS/c1-11(2)12-3-5-13(6-4-12)17-16(20)18-14-7-9-15(19)10-8-14/h3-6,11,14-15,19H,7-10H2,1-2H3,(H2,17,18,20).
What are the key properties of 1-(4-hydroxycyclohexyl)-3-(4-propan-2-ylphenyl)thiourea?
1-(4-hydroxycyclohexyl)-3-(4-propan-2-ylphenyl)thiourea has a molecular weight of 292.45 g/mol, XLogP of 3.40, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-hydroxycyclohexyl)-3-(4-propan-2-ylphenyl)thiourea is sourced from PubChem (CID 8627679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).