1-cyclohexyl-3-[4-[ethyl(propan-2-yl)amino]phenyl]thiourea

C18H29N3S — CID 7941710

IUPAC1-cyclohexyl-3-[4-[ethyl(propan-2-yl)amino]phenyl]thiourea
SMILESCCN(c1ccc(NC(=S)NC2CCCCC2)cc1)C(C)C
InChIInChI=1S/C18H29N3S/c1-4-21(14(2)3)17-12-10-16(11-13-17)20-18(22)19-15-8-6-5-7-9-15/h10-15H,4-9H2,1-3H3,(H2,19,20,22)
InChIKeyUAVQRQQRRWLNLT-UHFFFAOYSA-N
MW319.52 g/mol
LogP4.54
Rot. Bonds5

About 1-cyclohexyl-3-[4-[ethyl(propan-2-yl)amino]phenyl]thiourea

1-cyclohexyl-3-[4-[ethyl(propan-2-yl)amino]phenyl]thiourea (PubChem CID 7941710) has the molecular formula C18H29N3S and a molecular weight of 319.52 g/mol. Its IUPAC name is 1-cyclohexyl-3-[4-[ethyl(propan-2-yl)amino]phenyl]thiourea.

Molecular Properties

Compound Name1-cyclohexyl-3-[4-[ethyl(propan-2-yl)amino]phenyl]thiourea
PubChem CID7941710
Molecular FormulaC18H29N3S
Molecular Weight319.52 g/mol
Exact Mass319.21
IUPAC Name1-cyclohexyl-3-[4-[ethyl(propan-2-yl)amino]phenyl]thiourea
SMILESCCN(c1ccc(NC(=S)NC2CCCCC2)cc1)C(C)C
InChIInChI=1S/C18H29N3S/c1-4-21(14(2)3)17-12-10-16(11-13-17)20-18(22)19-15-8-6-5-7-9-15/h10-15H,4-9H2,1-3H3,(H2,19,20,22)
InChIKeyUAVQRQQRRWLNLT-UHFFFAOYSA-N
XLogP4.54
TPSA27.30 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.52
LogP ≤ 54.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-[4-[ethyl(propan-2-yl)amino]phenyl]-3-[(1R,2S)-2-methylcyclohexyl]thiourea
CID 11930366
1-cyclohexyl-3-[4-(N-propan-2-ylanilino)phenyl]thiourea
CID 23795770
1-[4-[ethyl(propan-2-yl)amino]phenyl]-3-propan-2-ylthiourea
CID 8616060
1-cycloheptyl-3-(4-ethoxyphenyl)thiourea
CID 8627943
ethyl 4-(cyclododecylcarbamothioylamino)benzoate
CID 19652499
1-(4-chlorophenyl)-3-cyclododecylthiourea
CID 17263329
1-cycloheptyl-3-phenylthiourea
CID 4085620
(2S)-N-[4-[ethyl(propan-2-yl)amino]phenyl]piperidine-2-carboxamide
CID 103813229
methyl 2-[4-(cycloheptylcarbamothioylamino)phenyl]acetate
CID 943661
1-cyclopentyl-3-pyridin-4-ylthiourea
CID 19655611
2-(azepan-1-yl)-N-[4-[ethyl(propan-2-yl)amino]phenyl]acetamide
CID 2104267
1-cyclooctyl-3-(4-nitrophenyl)thiourea
CID 8627304

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-3-[4-[ethyl(propan-2-yl)amino]phenyl]thiourea?
The IUPAC name of 1-cyclohexyl-3-[4-[ethyl(propan-2-yl)amino]phenyl]thiourea (CID 7941710) is 1-cyclohexyl-3-[4-[ethyl(propan-2-yl)amino]phenyl]thiourea.
What is the SMILES notation for 1-cyclohexyl-3-[4-[ethyl(propan-2-yl)amino]phenyl]thiourea?
The canonical SMILES for 1-cyclohexyl-3-[4-[ethyl(propan-2-yl)amino]phenyl]thiourea is CCN(c1ccc(NC(=S)NC2CCCCC2)cc1)C(C)C.
What is the InChIKey of 1-cyclohexyl-3-[4-[ethyl(propan-2-yl)amino]phenyl]thiourea?
The InChIKey is UAVQRQQRRWLNLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N3S/c1-4-21(14(2)3)17-12-10-16(11-13-17)20-18(22)19-15-8-6-5-7-9-15/h10-15H,4-9H2,1-3H3,(H2,19,20,22).
What are the key properties of 1-cyclohexyl-3-[4-[ethyl(propan-2-yl)amino]phenyl]thiourea?
1-cyclohexyl-3-[4-[ethyl(propan-2-yl)amino]phenyl]thiourea has a molecular weight of 319.52 g/mol, XLogP of 4.54, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-3-[4-[ethyl(propan-2-yl)amino]phenyl]thiourea is sourced from PubChem (CID 7941710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).