1-cyclopentyl-3-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]thiourea

C12H19N3OS — CID 106370563

IUPAC1-cyclopentyl-3-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]thiourea
SMILESCc1nc(CNC(=S)NC2CCCC2)oc1C
InChIInChI=1S/C12H19N3OS/c1-8-9(2)16-11(14-8)7-13-12(17)15-10-5-3-4-6-10/h10H,3-7H2,1-2H3,(H2,13,15,17)
InChIKeySUWWGFYROXRRAZ-UHFFFAOYSA-N
MW253.37 g/mol
LogP2.20
Rot. Bonds3

About 1-cyclopentyl-3-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]thiourea

1-cyclopentyl-3-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]thiourea (PubChem CID 106370563) has the molecular formula C12H19N3OS and a molecular weight of 253.37 g/mol. Its IUPAC name is 1-cyclopentyl-3-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]thiourea.

Molecular Properties

Compound Name1-cyclopentyl-3-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]thiourea
PubChem CID106370563
Molecular FormulaC12H19N3OS
Molecular Weight253.37 g/mol
Exact Mass253.12
IUPAC Name1-cyclopentyl-3-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]thiourea
SMILESCc1nc(CNC(=S)NC2CCCC2)oc1C
InChIInChI=1S/C12H19N3OS/c1-8-9(2)16-11(14-8)7-13-12(17)15-10-5-3-4-6-10/h10H,3-7H2,1-2H3,(H2,13,15,17)
InChIKeySUWWGFYROXRRAZ-UHFFFAOYSA-N
XLogP2.20
TPSA50.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.37
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-cyclopentyl-3-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]thiourea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-cyclohexyl-3-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]thiourea
CID 113226459
1-cyclopentyl-3-[(5-methyl-1,3-oxazol-2-yl)methyl]thiourea
CID 106370549
N-cyclohexyl-2-[[[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]-(ethylamino)methylidene]amino]acetamide;hydroiodide
CID 109431554
N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]cyclopropanecarboxamide
CID 103623190
cyclopropylmethyl N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]carbamate
CID 154804982
1-carbamothioyl-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]cyclopentane-1-carboxamide
CID 106372330
N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1-methylazepan-4-amine
CID 106370571
N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1,1-dioxothian-3-amine
CID 63924723
1-cyclopentyl-3-[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]propan-2-ol
CID 106372516
1-cyclopentyl-3-[(3-methyl-4-pyridinyl)methyl]thiourea
CID 114699391
1-[(2S,4S)-2-cyclopropyloxan-4-yl]-3-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]urea
CID 99616041
N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-N',3-dimethylpiperidine-1-carboximidamide
CID 111143968

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-3-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]thiourea?
The IUPAC name of 1-cyclopentyl-3-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]thiourea (CID 106370563) is 1-cyclopentyl-3-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]thiourea.
What is the SMILES notation for 1-cyclopentyl-3-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]thiourea?
The canonical SMILES for 1-cyclopentyl-3-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]thiourea is Cc1nc(CNC(=S)NC2CCCC2)oc1C.
What is the InChIKey of 1-cyclopentyl-3-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]thiourea?
The InChIKey is SUWWGFYROXRRAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3OS/c1-8-9(2)16-11(14-8)7-13-12(17)15-10-5-3-4-6-10/h10H,3-7H2,1-2H3,(H2,13,15,17).
What are the key properties of 1-cyclopentyl-3-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]thiourea?
1-cyclopentyl-3-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]thiourea has a molecular weight of 253.37 g/mol, XLogP of 2.20, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-3-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]thiourea is sourced from PubChem (CID 106370563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).