1-[(S)-(4-methylphenyl)-thiophen-2-ylmethyl]-3-propylthiourea

C16H20N2S2 — CID 9283722

IUPAC1-[(S)-(4-methylphenyl)-thiophen-2-ylmethyl]-3-propylthiourea
SMILESCCCNC(=S)N[C@@H](c1ccc(C)cc1)c1cccs1
InChIInChI=1S/C16H20N2S2/c1-3-10-17-16(19)18-15(14-5-4-11-20-14)13-8-6-12(2)7-9-13/h4-9,11,15H,3,10H2,1-2H3,(H2,17,18,19)/t15-/m0/s1
InChIKeyLOOVDZMBRWNOEN-HNNXBMFYSA-N
MW304.48 g/mol
LogP4.02
Rot. Bonds5

About 1-[(S)-(4-methylphenyl)-thiophen-2-ylmethyl]-3-propylthiourea

1-[(S)-(4-methylphenyl)-thiophen-2-ylmethyl]-3-propylthiourea (PubChem CID 9283722) has the molecular formula C16H20N2S2 and a molecular weight of 304.48 g/mol. Its IUPAC name is 1-[(S)-(4-methylphenyl)-thiophen-2-ylmethyl]-3-propylthiourea.

Molecular Properties

Compound Name1-[(S)-(4-methylphenyl)-thiophen-2-ylmethyl]-3-propylthiourea
PubChem CID9283722
Molecular FormulaC16H20N2S2
Molecular Weight304.48 g/mol
Exact Mass304.11
IUPAC Name1-[(S)-(4-methylphenyl)-thiophen-2-ylmethyl]-3-propylthiourea
SMILESCCCNC(=S)N[C@@H](c1ccc(C)cc1)c1cccs1
InChIInChI=1S/C16H20N2S2/c1-3-10-17-16(19)18-15(14-5-4-11-20-14)13-8-6-12(2)7-9-13/h4-9,11,15H,3,10H2,1-2H3,(H2,17,18,19)/t15-/m0/s1
InChIKeyLOOVDZMBRWNOEN-HNNXBMFYSA-N
XLogP4.02
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.48
LogP ≤ 54.02
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-cyclopropyl-3-[(R)-(4-methylphenyl)-thiophen-2-ylmethyl]thiourea
CID 9283733
1-[(4-methoxyphenyl)methyl]-3-[(S)-(4-methylphenyl)-thiophen-2-ylmethyl]thiourea
CID 9283736
3-[[(S)-(4-ethylphenyl)-thiophen-2-ylmethyl]carbamothioylamino]propyl-dimethylazanium
CID 9096422
1-[3-(dimethylamino)propyl]-3-[(R)-(4-ethylphenyl)-thiophen-2-ylmethyl]thiourea
CID 9096426
2-[[5-[2-[[(4-methylphenyl)-thiophen-2-ylmethyl]amino]-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]sulfanyl]-N-propylacetamide
CID 46825279
1-[(S)-(4-ethylphenyl)-thiophen-2-ylmethyl]-3-(2-morpholin-4-ium-4-ylethyl)thiourea
CID 9096355
1-ethyl-3-[(S)-(4-methylphenyl)-phenylmethyl]thiourea
CID 8696622
1-[(S)-(4-ethylphenyl)-thiophen-2-ylmethyl]-3-(furan-2-ylmethyl)thiourea
CID 9096380
1-(2-methoxyethyl)-3-[(R)-(4-methylphenyl)-phenylmethyl]thiourea
CID 8696634
1-propyl-3-[(S)-thiophen-2-yl(thiophen-3-yl)methyl]urea
CID 129355017
methyl-[2-oxo-2-[[(S)-phenyl(thiophen-2-yl)methyl]amino]ethyl]-[2-oxo-2-(propylamino)ethyl]azanium
CID 8790275
1-(4-fluorophenyl)-3-[(4-methylphenyl)-thiophen-2-ylmethyl]urea
CID 17499433

Frequently Asked Questions

What is the IUPAC name of 1-[(S)-(4-methylphenyl)-thiophen-2-ylmethyl]-3-propylthiourea?
The IUPAC name of 1-[(S)-(4-methylphenyl)-thiophen-2-ylmethyl]-3-propylthiourea (CID 9283722) is 1-[(S)-(4-methylphenyl)-thiophen-2-ylmethyl]-3-propylthiourea.
What is the SMILES notation for 1-[(S)-(4-methylphenyl)-thiophen-2-ylmethyl]-3-propylthiourea?
The canonical SMILES for 1-[(S)-(4-methylphenyl)-thiophen-2-ylmethyl]-3-propylthiourea is CCCNC(=S)N[C@@H](c1ccc(C)cc1)c1cccs1.
What is the InChIKey of 1-[(S)-(4-methylphenyl)-thiophen-2-ylmethyl]-3-propylthiourea?
The InChIKey is LOOVDZMBRWNOEN-HNNXBMFYSA-N. The full InChI is InChI=1S/C16H20N2S2/c1-3-10-17-16(19)18-15(14-5-4-11-20-14)13-8-6-12(2)7-9-13/h4-9,11,15H,3,10H2,1-2H3,(H2,17,18,19)/t15-/m0/s1.
What are the key properties of 1-[(S)-(4-methylphenyl)-thiophen-2-ylmethyl]-3-propylthiourea?
1-[(S)-(4-methylphenyl)-thiophen-2-ylmethyl]-3-propylthiourea has a molecular weight of 304.48 g/mol, XLogP of 4.02, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(S)-(4-methylphenyl)-thiophen-2-ylmethyl]-3-propylthiourea is sourced from PubChem (CID 9283722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).