1-cyclopropyl-3-[(R)-(4-methylphenyl)-thiophen-2-ylmethyl]thiourea

C16H18N2S2 — CID 9283733

IUPAC1-cyclopropyl-3-[(R)-(4-methylphenyl)-thiophen-2-ylmethyl]thiourea
SMILESCc1ccc([C@@H](NC(=S)NC2CC2)c2cccs2)cc1
InChIInChI=1S/C16H18N2S2/c1-11-4-6-12(7-5-11)15(14-3-2-10-20-14)18-16(19)17-13-8-9-13/h2-7,10,13,15H,8-9H2,1H3,(H2,17,18,19)/t15-/m1/s1
InChIKeyVZRZLBTZWLFMMG-OAHLLOKOSA-N
MW302.47 g/mol
LogP3.77
Rot. Bonds4

About 1-cyclopropyl-3-[(R)-(4-methylphenyl)-thiophen-2-ylmethyl]thiourea

1-cyclopropyl-3-[(R)-(4-methylphenyl)-thiophen-2-ylmethyl]thiourea (PubChem CID 9283733) has the molecular formula C16H18N2S2 and a molecular weight of 302.47 g/mol. Its IUPAC name is 1-cyclopropyl-3-[(R)-(4-methylphenyl)-thiophen-2-ylmethyl]thiourea.

Molecular Properties

Compound Name1-cyclopropyl-3-[(R)-(4-methylphenyl)-thiophen-2-ylmethyl]thiourea
PubChem CID9283733
Molecular FormulaC16H18N2S2
Molecular Weight302.47 g/mol
Exact Mass302.09
IUPAC Name1-cyclopropyl-3-[(R)-(4-methylphenyl)-thiophen-2-ylmethyl]thiourea
SMILESCc1ccc([C@@H](NC(=S)NC2CC2)c2cccs2)cc1
InChIInChI=1S/C16H18N2S2/c1-11-4-6-12(7-5-11)15(14-3-2-10-20-14)18-16(19)17-13-8-9-13/h2-7,10,13,15H,8-9H2,1H3,(H2,17,18,19)/t15-/m1/s1
InChIKeyVZRZLBTZWLFMMG-OAHLLOKOSA-N
XLogP3.77
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.47
LogP ≤ 53.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-cyclopropyl-3-[(R)-(4-methylphenyl)-thiophen-2-ylmethyl]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-[(S)-(4-methylphenyl)-thiophen-2-ylmethyl]-3-propylthiourea
CID 9283722
1-[(4-methoxyphenyl)methyl]-3-[(S)-(4-methylphenyl)-thiophen-2-ylmethyl]thiourea
CID 9283736
[(2S)-1-(cyclopropylamino)-1-oxopropan-2-yl]-[(S)-(4-methylphenyl)-thiophen-2-ylmethyl]azanium
CID 8867607
(2R)-N-(cyclohexylcarbamoyl)-2-[[(R)-(4-methylphenyl)-thiophen-2-ylmethyl]amino]propanamide
CID 9052416
2-[(3S)-3-hydroxypyrrolidin-1-yl]-N-[(4-methylphenyl)-thiophen-2-ylmethyl]acetamide
CID 111123159
[(1S)-2-(cyclopropylamino)-2-oxo-1-phenylethyl]-[(S)-(4-methylphenyl)-thiophen-2-ylmethyl]azanium
CID 9052568
N-(1-benzylpiperidin-4-yl)-2-[[(S)-(4-methylphenyl)-thiophen-2-ylmethyl]amino]acetamide
CID 25495715
(2R)-N-cyclopropyl-2-phenyl-2-[[(S)-phenyl(thiophen-2-yl)methyl]amino]acetamide
CID 9051615
(3S)-3-N-[(R)-(4-methylphenyl)-thiophen-2-ylmethyl]-1-N-phenylpiperidine-1,3-dicarboxamide
CID 51646299
N-[(4-methylphenyl)-thiophen-2-ylmethyl]furan-3-carboxamide
CID 24613812
(2R)-N-cyclopropyl-2-[[(S)-(4-ethylphenyl)-thiophen-2-ylmethyl]amino]propanamide
CID 8769306
1-(4-fluorophenyl)-3-[(4-methylphenyl)-thiophen-2-ylmethyl]urea
CID 17499433

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-3-[(R)-(4-methylphenyl)-thiophen-2-ylmethyl]thiourea?
The IUPAC name of 1-cyclopropyl-3-[(R)-(4-methylphenyl)-thiophen-2-ylmethyl]thiourea (CID 9283733) is 1-cyclopropyl-3-[(R)-(4-methylphenyl)-thiophen-2-ylmethyl]thiourea.
What is the SMILES notation for 1-cyclopropyl-3-[(R)-(4-methylphenyl)-thiophen-2-ylmethyl]thiourea?
The canonical SMILES for 1-cyclopropyl-3-[(R)-(4-methylphenyl)-thiophen-2-ylmethyl]thiourea is Cc1ccc([C@@H](NC(=S)NC2CC2)c2cccs2)cc1.
What is the InChIKey of 1-cyclopropyl-3-[(R)-(4-methylphenyl)-thiophen-2-ylmethyl]thiourea?
The InChIKey is VZRZLBTZWLFMMG-OAHLLOKOSA-N. The full InChI is InChI=1S/C16H18N2S2/c1-11-4-6-12(7-5-11)15(14-3-2-10-20-14)18-16(19)17-13-8-9-13/h2-7,10,13,15H,8-9H2,1H3,(H2,17,18,19)/t15-/m1/s1.
What are the key properties of 1-cyclopropyl-3-[(R)-(4-methylphenyl)-thiophen-2-ylmethyl]thiourea?
1-cyclopropyl-3-[(R)-(4-methylphenyl)-thiophen-2-ylmethyl]thiourea has a molecular weight of 302.47 g/mol, XLogP of 3.77, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-3-[(R)-(4-methylphenyl)-thiophen-2-ylmethyl]thiourea is sourced from PubChem (CID 9283733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).