1-(1-methoxypropan-2-yl)-3-(1-thiophen-2-ylethyl)thiourea

C11H18N2OS2 — CID 115570731

IUPAC1-(1-methoxypropan-2-yl)-3-(1-thiophen-2-ylethyl)thiourea
SMILESCOCC(C)NC(=S)NC(C)c1cccs1
InChIInChI=1S/C11H18N2OS2/c1-8(7-14-3)12-11(15)13-9(2)10-5-4-6-16-10/h4-6,8-9H,7H2,1-3H3,(H2,12,13,15)
InChIKeyVRHKKNWMPSZMIY-UHFFFAOYSA-N
MW258.41 g/mol
LogP2.31
Rot. Bonds5

About 1-(1-methoxypropan-2-yl)-3-(1-thiophen-2-ylethyl)thiourea

1-(1-methoxypropan-2-yl)-3-(1-thiophen-2-ylethyl)thiourea (PubChem CID 115570731) has the molecular formula C11H18N2OS2 and a molecular weight of 258.41 g/mol. Its IUPAC name is 1-(1-methoxypropan-2-yl)-3-(1-thiophen-2-ylethyl)thiourea.

Molecular Properties

Compound Name1-(1-methoxypropan-2-yl)-3-(1-thiophen-2-ylethyl)thiourea
PubChem CID115570731
Molecular FormulaC11H18N2OS2
Molecular Weight258.41 g/mol
Exact Mass258.09
IUPAC Name1-(1-methoxypropan-2-yl)-3-(1-thiophen-2-ylethyl)thiourea
SMILESCOCC(C)NC(=S)NC(C)c1cccs1
InChIInChI=1S/C11H18N2OS2/c1-8(7-14-3)12-11(15)13-9(2)10-5-4-6-16-10/h4-6,8-9H,7H2,1-3H3,(H2,12,13,15)
InChIKeyVRHKKNWMPSZMIY-UHFFFAOYSA-N
XLogP2.31
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.41
LogP ≤ 52.31
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-methoxy-N-[(1S)-1-thiophen-2-ylethyl]propan-2-amine
CID 81399226
1-[(4-methoxyphenyl)methyl]-3-[(1S)-1-thiophen-2-ylethyl]thiourea
CID 8725605
N-[(2S)-1-methoxypropan-2-yl]thiophene-2-carboxamide
CID 670280
3-(1-methoxypropan-2-yl)-1-methyl-1-(thiophen-2-ylmethyl)thiourea
CID 115570922
1-(3-methoxypropyl)-3-(2-methyl-1-thiophen-2-ylpropyl)thiourea
CID 115573195
4-methoxy-N-[(1S)-1-thiophen-2-ylethyl]butan-2-amine
CID 81398885
1-(1-methoxypropan-2-yl)-3-[(3-methylthiophen-2-yl)methyl]thiourea
CID 115579102
methyl 2-oxo-2-(1-thiophen-2-ylethylamino)acetate
CID 112616741
N-(1-methoxypropan-2-yl)-4-thiophen-2-ylbutanamide
CID 78785345
1-(2-methoxyethyl)-3-(1-thiophen-2-ylpropan-2-yl)thiourea
CID 115579604
1-[(3-ethylthiophen-2-yl)methyl]-3-(1-methoxypropan-2-yl)thiourea
CID 113254036
1-[(2R)-1-methoxypropan-2-yl]-3-(thiophen-2-ylmethyl)urea
CID 94744411

Frequently Asked Questions

What is the IUPAC name of 1-(1-methoxypropan-2-yl)-3-(1-thiophen-2-ylethyl)thiourea?
The IUPAC name of 1-(1-methoxypropan-2-yl)-3-(1-thiophen-2-ylethyl)thiourea (CID 115570731) is 1-(1-methoxypropan-2-yl)-3-(1-thiophen-2-ylethyl)thiourea.
What is the SMILES notation for 1-(1-methoxypropan-2-yl)-3-(1-thiophen-2-ylethyl)thiourea?
The canonical SMILES for 1-(1-methoxypropan-2-yl)-3-(1-thiophen-2-ylethyl)thiourea is COCC(C)NC(=S)NC(C)c1cccs1.
What is the InChIKey of 1-(1-methoxypropan-2-yl)-3-(1-thiophen-2-ylethyl)thiourea?
The InChIKey is VRHKKNWMPSZMIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2OS2/c1-8(7-14-3)12-11(15)13-9(2)10-5-4-6-16-10/h4-6,8-9H,7H2,1-3H3,(H2,12,13,15).
What are the key properties of 1-(1-methoxypropan-2-yl)-3-(1-thiophen-2-ylethyl)thiourea?
1-(1-methoxypropan-2-yl)-3-(1-thiophen-2-ylethyl)thiourea has a molecular weight of 258.41 g/mol, XLogP of 2.31, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methoxypropan-2-yl)-3-(1-thiophen-2-ylethyl)thiourea is sourced from PubChem (CID 115570731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).