1-cyclopentyl-3-[2-(1-methylimidazol-2-yl)ethyl]thiourea

C12H20N4S — CID 116508143

IUPAC1-cyclopentyl-3-[2-(1-methylimidazol-2-yl)ethyl]thiourea
SMILESCn1ccnc1CCNC(=S)NC1CCCC1
InChIInChI=1S/C12H20N4S/c1-16-9-8-13-11(16)6-7-14-12(17)15-10-4-2-3-5-10/h8-10H,2-7H2,1H3,(H2,14,15,17)
InChIKeyCTCXSOLSPZMUFD-UHFFFAOYSA-N
MW252.39 g/mol
LogP1.37
Rot. Bonds4

About 1-cyclopentyl-3-[2-(1-methylimidazol-2-yl)ethyl]thiourea

1-cyclopentyl-3-[2-(1-methylimidazol-2-yl)ethyl]thiourea (PubChem CID 116508143) has the molecular formula C12H20N4S and a molecular weight of 252.39 g/mol. Its IUPAC name is 1-cyclopentyl-3-[2-(1-methylimidazol-2-yl)ethyl]thiourea.

Molecular Properties

Compound Name1-cyclopentyl-3-[2-(1-methylimidazol-2-yl)ethyl]thiourea
PubChem CID116508143
Molecular FormulaC12H20N4S
Molecular Weight252.39 g/mol
Exact Mass252.14
IUPAC Name1-cyclopentyl-3-[2-(1-methylimidazol-2-yl)ethyl]thiourea
SMILESCn1ccnc1CCNC(=S)NC1CCCC1
InChIInChI=1S/C12H20N4S/c1-16-9-8-13-11(16)6-7-14-12(17)15-10-4-2-3-5-10/h8-10H,2-7H2,1H3,(H2,14,15,17)
InChIKeyCTCXSOLSPZMUFD-UHFFFAOYSA-N
XLogP1.37
TPSA41.88 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.39
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[2-(1-methylimidazol-2-yl)ethyl]-3-propylthiourea
CID 116508135
N-[2-(1-methylimidazol-2-yl)ethyl]cyclooctanamine
CID 61214993
2-amino-2-cyclopropyl-N-[2-(1-methylimidazol-2-yl)ethyl]propanamide
CID 61212990
1-cyclopentyl-3-(2-pyrazol-1-ylethyl)thiourea
CID 116507643
1-cyclopentyl-3-[2-(1,3-thiazol-2-yl)ethyl]thiourea
CID 116508515
2-methyl-N-[2-(1-methylimidazol-2-yl)ethyl]cyclohexan-1-amine
CID 61214730
1-cyclohexyl-2-[2-(1-methylimidazol-2-yl)ethyl]guanidine
CID 62368222
(2S)-N-[2-(1-methylimidazol-2-yl)ethyl]-1-propan-2-ylpiperidine-2-carboxamide
CID 97216449
2-cyclopropyl-N-[2-(1-methylimidazol-2-yl)ethyl]-2-pyrrolidin-1-ylacetamide
CID 86791142
1-amino-N-[2-(1-methylimidazol-2-yl)ethyl]cyclobutane-1-carboxamide
CID 81171638
1-cyclododecyl-3-(2-phenylethyl)thiourea
CID 17298455
3-[2-(1-methylimidazol-2-yl)ethylamino]-3-oxopropanoic acid
CID 62232290

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-3-[2-(1-methylimidazol-2-yl)ethyl]thiourea?
The IUPAC name of 1-cyclopentyl-3-[2-(1-methylimidazol-2-yl)ethyl]thiourea (CID 116508143) is 1-cyclopentyl-3-[2-(1-methylimidazol-2-yl)ethyl]thiourea.
What is the SMILES notation for 1-cyclopentyl-3-[2-(1-methylimidazol-2-yl)ethyl]thiourea?
The canonical SMILES for 1-cyclopentyl-3-[2-(1-methylimidazol-2-yl)ethyl]thiourea is Cn1ccnc1CCNC(=S)NC1CCCC1.
What is the InChIKey of 1-cyclopentyl-3-[2-(1-methylimidazol-2-yl)ethyl]thiourea?
The InChIKey is CTCXSOLSPZMUFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4S/c1-16-9-8-13-11(16)6-7-14-12(17)15-10-4-2-3-5-10/h8-10H,2-7H2,1H3,(H2,14,15,17).
What are the key properties of 1-cyclopentyl-3-[2-(1-methylimidazol-2-yl)ethyl]thiourea?
1-cyclopentyl-3-[2-(1-methylimidazol-2-yl)ethyl]thiourea has a molecular weight of 252.39 g/mol, XLogP of 1.37, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-3-[2-(1-methylimidazol-2-yl)ethyl]thiourea is sourced from PubChem (CID 116508143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).