1-cyclopentyl-3-(pyridin-2-ylmethyl)thiourea

C12H17N3S — CID 19686556

IUPAC1-cyclopentyl-3-(pyridin-2-ylmethyl)thiourea
SMILESS=C(NCc1ccccn1)NC1CCCC1
InChIInChI=1S/C12H17N3S/c16-12(15-10-5-1-2-6-10)14-9-11-7-3-4-8-13-11/h3-4,7-8,10H,1-2,5-6,9H2,(H2,14,15,16)
InChIKeyBSBIJBCCWMVUKV-UHFFFAOYSA-N
MW235.36 g/mol
LogP1.99
Rot. Bonds3

About 1-cyclopentyl-3-(pyridin-2-ylmethyl)thiourea

1-cyclopentyl-3-(pyridin-2-ylmethyl)thiourea (PubChem CID 19686556) has the molecular formula C12H17N3S and a molecular weight of 235.36 g/mol. Its IUPAC name is 1-cyclopentyl-3-(pyridin-2-ylmethyl)thiourea.

Molecular Properties

Compound Name1-cyclopentyl-3-(pyridin-2-ylmethyl)thiourea
PubChem CID19686556
Molecular FormulaC12H17N3S
Molecular Weight235.36 g/mol
Exact Mass235.11
IUPAC Name1-cyclopentyl-3-(pyridin-2-ylmethyl)thiourea
SMILESS=C(NCc1ccccn1)NC1CCCC1
InChIInChI=1S/C12H17N3S/c16-12(15-10-5-1-2-6-10)14-9-11-7-3-4-8-13-11/h3-4,7-8,10H,1-2,5-6,9H2,(H2,14,15,16)
InChIKeyBSBIJBCCWMVUKV-UHFFFAOYSA-N
XLogP1.99
TPSA36.95 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.36
LogP ≤ 51.99
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-cyclopentyl-3-[2-(pyridin-2-ylmethylsulfanyl)ethyl]thiourea
CID 14024843
N'-cyclohexyl-N-(pyridin-2-ylmethyl)oxamide
CID 2844203
1-cyclopentyl-3-[1-(pyridin-2-ylmethyl)piperidin-4-yl]thiourea
CID 100572605
1-cyclopentyl-3-(1,2-oxazol-3-ylmethyl)thiourea
CID 115704568
1-cyclobutyl-2-methyl-3-(pyridin-2-ylmethyl)guanidine;hydroiodide
CID 119140089
4-N-cyclopropyl-1-N-(pyridin-2-ylmethyl)cyclohexane-1,4-dicarboxamide
CID 109144683
1-phenyl-3-(pyridin-2-ylmethyl)thiourea
CID 737300
6-N-cyclopropyl-2-N-(pyridin-2-ylmethyl)pyridine-2,6-dicarboxamide
CID 109093842
1-N-cyclohexyl-4-N-(pyridin-2-ylmethyl)piperidine-1,4-dicarboxamide
CID 113004461
oxalic acid;N-(pyridin-2-ylmethyl)cyclopentanamine
CID 17052919
1-N'-cyclopropyl-1-N-(pyridin-2-ylmethyl)cyclopropane-1,1-dicarboxamide
CID 108970618
3-(cycloheptylamino)-N-(pyridin-2-ylmethyl)propanamide
CID 109023192

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-3-(pyridin-2-ylmethyl)thiourea?
The IUPAC name of 1-cyclopentyl-3-(pyridin-2-ylmethyl)thiourea (CID 19686556) is 1-cyclopentyl-3-(pyridin-2-ylmethyl)thiourea.
What is the SMILES notation for 1-cyclopentyl-3-(pyridin-2-ylmethyl)thiourea?
The canonical SMILES for 1-cyclopentyl-3-(pyridin-2-ylmethyl)thiourea is S=C(NCc1ccccn1)NC1CCCC1.
What is the InChIKey of 1-cyclopentyl-3-(pyridin-2-ylmethyl)thiourea?
The InChIKey is BSBIJBCCWMVUKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3S/c16-12(15-10-5-1-2-6-10)14-9-11-7-3-4-8-13-11/h3-4,7-8,10H,1-2,5-6,9H2,(H2,14,15,16).
What are the key properties of 1-cyclopentyl-3-(pyridin-2-ylmethyl)thiourea?
1-cyclopentyl-3-(pyridin-2-ylmethyl)thiourea has a molecular weight of 235.36 g/mol, XLogP of 1.99, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-3-(pyridin-2-ylmethyl)thiourea is sourced from PubChem (CID 19686556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).