1-(2-chloro-3-pyridinyl)-3-cyclopentylthiourea

C11H14ClN3S — CID 19686507

IUPAC1-(2-chloro-3-pyridinyl)-3-cyclopentylthiourea
SMILESS=C(Nc1cccnc1Cl)NC1CCCC1
InChIInChI=1S/C11H14ClN3S/c12-10-9(6-3-7-13-10)15-11(16)14-8-4-1-2-5-8/h3,6-8H,1-2,4-5H2,(H2,14,15,16)
InChIKeyLJBXIIJZZAZFTO-UHFFFAOYSA-N
MW255.77 g/mol
LogP2.96
Rot. Bonds2

About 1-(2-chloro-3-pyridinyl)-3-cyclopentylthiourea

1-(2-chloro-3-pyridinyl)-3-cyclopentylthiourea (PubChem CID 19686507) has the molecular formula C11H14ClN3S and a molecular weight of 255.77 g/mol. Its IUPAC name is 1-(2-chloro-3-pyridinyl)-3-cyclopentylthiourea.

Molecular Properties

Compound Name1-(2-chloro-3-pyridinyl)-3-cyclopentylthiourea
PubChem CID19686507
Molecular FormulaC11H14ClN3S
Molecular Weight255.77 g/mol
Exact Mass255.06
IUPAC Name1-(2-chloro-3-pyridinyl)-3-cyclopentylthiourea
SMILESS=C(Nc1cccnc1Cl)NC1CCCC1
InChIInChI=1S/C11H14ClN3S/c12-10-9(6-3-7-13-10)15-11(16)14-8-4-1-2-5-8/h3,6-8H,1-2,4-5H2,(H2,14,15,16)
InChIKeyLJBXIIJZZAZFTO-UHFFFAOYSA-N
XLogP2.96
TPSA36.95 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.77
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

1-cyclohexyl-3-quinolin-5-ylthiourea
CID 115570849
1-(3-chloro-2-hydroxyphenyl)-3-cyclohexylthiourea
CID 87656204
1-(3-chloro-2-methylphenyl)-3-cyclododecylthiourea
CID 2730972
1-cyclododecyl-3-(2-methylphenyl)thiourea
CID 19652468
1-(4-bromophenyl)-3-(2-chloro-3-pyridinyl)thiourea
CID 19686474
1-(2-chloro-3-pyridinyl)-3-(2,6-dimethylphenyl)thiourea
CID 23857093
1-cyclopentyl-3-pyridin-4-ylthiourea
CID 19655611
1-(4-bromo-2,3-dichlorophenyl)-3-cyclohexylthiourea
CID 107788670
1-(5-bromo-2-chlorophenyl)-3-cyclopentylthiourea
CID 116508391
N-(2-chloro-3-pyridinyl)oxolane-2-carboxamide
CID 4166852
2-amino-N-(2-chloro-3-pyridinyl)cyclohexane-1-carboxamide
CID 64822363
1-(4-chlorophenyl)-3-cyclododecylthiourea
CID 17263329

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-3-pyridinyl)-3-cyclopentylthiourea?
The IUPAC name of 1-(2-chloro-3-pyridinyl)-3-cyclopentylthiourea (CID 19686507) is 1-(2-chloro-3-pyridinyl)-3-cyclopentylthiourea.
What is the SMILES notation for 1-(2-chloro-3-pyridinyl)-3-cyclopentylthiourea?
The canonical SMILES for 1-(2-chloro-3-pyridinyl)-3-cyclopentylthiourea is S=C(Nc1cccnc1Cl)NC1CCCC1.
What is the InChIKey of 1-(2-chloro-3-pyridinyl)-3-cyclopentylthiourea?
The InChIKey is LJBXIIJZZAZFTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClN3S/c12-10-9(6-3-7-13-10)15-11(16)14-8-4-1-2-5-8/h3,6-8H,1-2,4-5H2,(H2,14,15,16).
What are the key properties of 1-(2-chloro-3-pyridinyl)-3-cyclopentylthiourea?
1-(2-chloro-3-pyridinyl)-3-cyclopentylthiourea has a molecular weight of 255.77 g/mol, XLogP of 2.96, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-3-pyridinyl)-3-cyclopentylthiourea is sourced from PubChem (CID 19686507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).