3-(1-methoxypropan-2-yl)-1-methyl-1-(thiophen-2-ylmethyl)thiourea

C11H18N2OS2 — CID 115570922

IUPAC3-(1-methoxypropan-2-yl)-1-methyl-1-(thiophen-2-ylmethyl)thiourea
SMILESCOCC(C)NC(=S)N(C)Cc1cccs1
InChIInChI=1S/C11H18N2OS2/c1-9(8-14-3)12-11(15)13(2)7-10-5-4-6-16-10/h4-6,9H,7-8H2,1-3H3,(H,12,15)
InChIKeyHYSFMOSFUFIRAO-UHFFFAOYSA-N
MW258.41 g/mol
LogP2.09
Rot. Bonds5

About 3-(1-methoxypropan-2-yl)-1-methyl-1-(thiophen-2-ylmethyl)thiourea

3-(1-methoxypropan-2-yl)-1-methyl-1-(thiophen-2-ylmethyl)thiourea (PubChem CID 115570922) has the molecular formula C11H18N2OS2 and a molecular weight of 258.41 g/mol. Its IUPAC name is 3-(1-methoxypropan-2-yl)-1-methyl-1-(thiophen-2-ylmethyl)thiourea.

Molecular Properties

Compound Name3-(1-methoxypropan-2-yl)-1-methyl-1-(thiophen-2-ylmethyl)thiourea
PubChem CID115570922
Molecular FormulaC11H18N2OS2
Molecular Weight258.41 g/mol
Exact Mass258.09
IUPAC Name3-(1-methoxypropan-2-yl)-1-methyl-1-(thiophen-2-ylmethyl)thiourea
SMILESCOCC(C)NC(=S)N(C)Cc1cccs1
InChIInChI=1S/C11H18N2OS2/c1-9(8-14-3)12-11(15)13(2)7-10-5-4-6-16-10/h4-6,9H,7-8H2,1-3H3,(H,12,15)
InChIKeyHYSFMOSFUFIRAO-UHFFFAOYSA-N
XLogP2.09
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.41
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-methyl-3-propan-2-yl-1-(thiophen-2-ylmethyl)thiourea
CID 115570918
1-methyl-3-(2-methylpropyl)-1-(thiophen-2-ylmethyl)thiourea
CID 115570920
N-(1-methoxypropan-2-yl)-4-thiophen-2-ylbutanamide
CID 78785345
N-(1-methoxypropan-2-yl)-N'-methyl-N'-(thiophen-2-ylmethyl)ethane-1,2-diamine
CID 62560212
(2S)-1-methoxy-N-(2-thiophen-2-ylethyl)propan-2-amine
CID 94472999
1-[(2R)-1-methoxypropan-2-yl]-3-(thiophen-2-ylmethyl)urea
CID 94744411
2-amino-3-methoxy-N-methyl-N-(thiophen-2-ylmethyl)propanamide
CID 81081754
3-(1-methoxypropan-2-yl)-1-methyl-1-(1,3-thiazol-4-ylmethyl)thiourea
CID 47950516
N'-ethyl-N-(1-methoxypropan-2-yl)-N'-(thiophen-2-ylmethyl)ethane-1,2-diamine
CID 62558030
3-cyclopropyl-1-methyl-1-(thiophen-2-ylmethyl)thiourea
CID 115570921
1-(1-methoxypropan-2-yl)-3-(1-thiophen-2-ylethyl)thiourea
CID 115570731
N-(1-methoxypropan-2-yl)-2-[2,4,5-trioxo-3-(2-thiophen-2-ylethyl)imidazolidin-1-yl]acetamide
CID 154775356

Frequently Asked Questions

What is the IUPAC name of 3-(1-methoxypropan-2-yl)-1-methyl-1-(thiophen-2-ylmethyl)thiourea?
The IUPAC name of 3-(1-methoxypropan-2-yl)-1-methyl-1-(thiophen-2-ylmethyl)thiourea (CID 115570922) is 3-(1-methoxypropan-2-yl)-1-methyl-1-(thiophen-2-ylmethyl)thiourea.
What is the SMILES notation for 3-(1-methoxypropan-2-yl)-1-methyl-1-(thiophen-2-ylmethyl)thiourea?
The canonical SMILES for 3-(1-methoxypropan-2-yl)-1-methyl-1-(thiophen-2-ylmethyl)thiourea is COCC(C)NC(=S)N(C)Cc1cccs1.
What is the InChIKey of 3-(1-methoxypropan-2-yl)-1-methyl-1-(thiophen-2-ylmethyl)thiourea?
The InChIKey is HYSFMOSFUFIRAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2OS2/c1-9(8-14-3)12-11(15)13(2)7-10-5-4-6-16-10/h4-6,9H,7-8H2,1-3H3,(H,12,15).
What are the key properties of 3-(1-methoxypropan-2-yl)-1-methyl-1-(thiophen-2-ylmethyl)thiourea?
3-(1-methoxypropan-2-yl)-1-methyl-1-(thiophen-2-ylmethyl)thiourea has a molecular weight of 258.41 g/mol, XLogP of 2.09, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-methoxypropan-2-yl)-1-methyl-1-(thiophen-2-ylmethyl)thiourea is sourced from PubChem (CID 115570922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).