1-cyclohexyl-3-quinolin-5-ylthiourea

C16H19N3S — CID 115570849

IUPAC1-cyclohexyl-3-quinolin-5-ylthiourea
SMILESS=C(Nc1cccc2ncccc12)NC1CCCCC1
InChIInChI=1S/C16H19N3S/c20-16(18-12-6-2-1-3-7-12)19-15-10-4-9-14-13(15)8-5-11-17-14/h4-5,8-12H,1-3,6-7H2,(H2,18,19,20)
InChIKeyZNRZPMKCDTZXHH-UHFFFAOYSA-N
MW285.42 g/mol
LogP3.85
Rot. Bonds2

About 1-cyclohexyl-3-quinolin-5-ylthiourea

1-cyclohexyl-3-quinolin-5-ylthiourea (PubChem CID 115570849) has the molecular formula C16H19N3S and a molecular weight of 285.42 g/mol. Its IUPAC name is 1-cyclohexyl-3-quinolin-5-ylthiourea.

Molecular Properties

Compound Name1-cyclohexyl-3-quinolin-5-ylthiourea
PubChem CID115570849
Molecular FormulaC16H19N3S
Molecular Weight285.42 g/mol
Exact Mass285.13
IUPAC Name1-cyclohexyl-3-quinolin-5-ylthiourea
SMILESS=C(Nc1cccc2ncccc12)NC1CCCCC1
InChIInChI=1S/C16H19N3S/c20-16(18-12-6-2-1-3-7-12)19-15-10-4-9-14-13(15)8-5-11-17-14/h4-5,8-12H,1-3,6-7H2,(H2,18,19,20)
InChIKeyZNRZPMKCDTZXHH-UHFFFAOYSA-N
XLogP3.85
TPSA36.95 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.42
LogP ≤ 53.85
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

N-quinolin-5-ylcyclohexanecarboxamide
CID 8873343
1-(2-chloro-3-pyridinyl)-3-cyclopentylthiourea
CID 19686507
1-carbamothioyl-3-quinolin-5-ylthiourea
CID 24835821
1-cyclododecyl-3-(2-methylphenyl)thiourea
CID 19652468
quinolin-5-ylthiourea
CID 1471601
1-acridin-9-yl-3-cyclohexylthiourea
CID 11056786
1-(3-chloro-2-hydroxyphenyl)-3-cyclohexylthiourea
CID 87656204
1-(3-chloro-2-methylphenyl)-3-cyclododecylthiourea
CID 2730972
2-amino-N-quinolin-5-ylcyclohexane-1-carboxamide
CID 64817918
N-quinolin-5-ylpiperidine-2-carboxamide
CID 18072312
1-cyclopropyl-3-isoquinolin-5-ylthiourea
CID 27012724
3-(cyclohexylcarbamothioylamino)-2-methylbenzoic acid
CID 91687016

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-3-quinolin-5-ylthiourea?
The IUPAC name of 1-cyclohexyl-3-quinolin-5-ylthiourea (CID 115570849) is 1-cyclohexyl-3-quinolin-5-ylthiourea.
What is the SMILES notation for 1-cyclohexyl-3-quinolin-5-ylthiourea?
The canonical SMILES for 1-cyclohexyl-3-quinolin-5-ylthiourea is S=C(Nc1cccc2ncccc12)NC1CCCCC1.
What is the InChIKey of 1-cyclohexyl-3-quinolin-5-ylthiourea?
The InChIKey is ZNRZPMKCDTZXHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3S/c20-16(18-12-6-2-1-3-7-12)19-15-10-4-9-14-13(15)8-5-11-17-14/h4-5,8-12H,1-3,6-7H2,(H2,18,19,20).
What are the key properties of 1-cyclohexyl-3-quinolin-5-ylthiourea?
1-cyclohexyl-3-quinolin-5-ylthiourea has a molecular weight of 285.42 g/mol, XLogP of 3.85, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-3-quinolin-5-ylthiourea is sourced from PubChem (CID 115570849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).