1-cyclohexyl-3-pyridin-2-ylthiourea

C12H17N3S — CID 721803

IUPAC1-cyclohexyl-3-pyridin-2-ylthiourea
SMILESS=C(Nc1ccccn1)NC1CCCCC1
InChIInChI=1S/C12H17N3S/c16-12(14-10-6-2-1-3-7-10)15-11-8-4-5-9-13-11/h4-5,8-10H,1-3,6-7H2,(H2,13,14,15,16)
InChIKeyNJYHEQAVKAHKLU-UHFFFAOYSA-N
MW235.36 g/mol
LogP2.70
Rot. Bonds2

About 1-cyclohexyl-3-pyridin-2-ylthiourea

1-cyclohexyl-3-pyridin-2-ylthiourea (PubChem CID 721803) has the molecular formula C12H17N3S and a molecular weight of 235.36 g/mol. Its IUPAC name is 1-cyclohexyl-3-pyridin-2-ylthiourea.

Molecular Properties

Compound Name1-cyclohexyl-3-pyridin-2-ylthiourea
PubChem CID721803
Molecular FormulaC12H17N3S
Molecular Weight235.36 g/mol
Exact Mass235.11
IUPAC Name1-cyclohexyl-3-pyridin-2-ylthiourea
SMILESS=C(Nc1ccccn1)NC1CCCCC1
InChIInChI=1S/C12H17N3S/c16-12(14-10-6-2-1-3-7-10)15-11-8-4-5-9-13-11/h4-5,8-10H,1-3,6-7H2,(H2,13,14,15,16)
InChIKeyNJYHEQAVKAHKLU-UHFFFAOYSA-N
XLogP2.70
TPSA36.95 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.36
LogP ≤ 52.70
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

2-Aminopyridine
CID 10439
2-(Benzylamino)pyridine
CID 23362
2,2'-Dipyridylamine
CID 14547
N-2-Pyridylaniline
CID 81130
1-(2-Pyridyl)piperazine
CID 94459
2-Dimethylaminopyridine
CID 21885
2-Pyridinamine, N-methyl-
CID 20727
N-Phenyl-N'-2-pyridinylurea
CID 221427
2-Pyridinamine, 4-methyl-N-(phenylmethyl)-
CID 83053
1-Phenyl-3-(2-pyridyl)thiourea
CID 701009
N-cyclohexyl-4-methylpyridin-2-amine
CID 2366458
N-(2-Methylphenyl)-N'-(2-pyridinyl)thiourea
CID 686648

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-3-pyridin-2-ylthiourea?
The IUPAC name of 1-cyclohexyl-3-pyridin-2-ylthiourea (CID 721803) is 1-cyclohexyl-3-pyridin-2-ylthiourea.
What is the SMILES notation for 1-cyclohexyl-3-pyridin-2-ylthiourea?
The canonical SMILES for 1-cyclohexyl-3-pyridin-2-ylthiourea is S=C(Nc1ccccn1)NC1CCCCC1.
What is the InChIKey of 1-cyclohexyl-3-pyridin-2-ylthiourea?
The InChIKey is NJYHEQAVKAHKLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3S/c16-12(14-10-6-2-1-3-7-10)15-11-8-4-5-9-13-11/h4-5,8-10H,1-3,6-7H2,(H2,13,14,15,16).
What are the key properties of 1-cyclohexyl-3-pyridin-2-ylthiourea?
1-cyclohexyl-3-pyridin-2-ylthiourea has a molecular weight of 235.36 g/mol, XLogP of 2.70, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-3-pyridin-2-ylthiourea is sourced from PubChem (CID 721803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).