1-(1-methoxypropan-2-yl)-3-[(3-methylthiophen-2-yl)methyl]thiourea

C11H18N2OS2 — CID 115579102

IUPAC1-(1-methoxypropan-2-yl)-3-[(3-methylthiophen-2-yl)methyl]thiourea
SMILESCOCC(C)NC(=S)NCc1sccc1C
InChIInChI=1S/C11H18N2OS2/c1-8-4-5-16-10(8)6-12-11(15)13-9(2)7-14-3/h4-5,9H,6-7H2,1-3H3,(H2,12,13,15)
InChIKeyWXYCSFYBIQNQIP-UHFFFAOYSA-N
MW258.41 g/mol
LogP2.06
Rot. Bonds5

About 1-(1-methoxypropan-2-yl)-3-[(3-methylthiophen-2-yl)methyl]thiourea

1-(1-methoxypropan-2-yl)-3-[(3-methylthiophen-2-yl)methyl]thiourea (PubChem CID 115579102) has the molecular formula C11H18N2OS2 and a molecular weight of 258.41 g/mol. Its IUPAC name is 1-(1-methoxypropan-2-yl)-3-[(3-methylthiophen-2-yl)methyl]thiourea.

Molecular Properties

Compound Name1-(1-methoxypropan-2-yl)-3-[(3-methylthiophen-2-yl)methyl]thiourea
PubChem CID115579102
Molecular FormulaC11H18N2OS2
Molecular Weight258.41 g/mol
Exact Mass258.09
IUPAC Name1-(1-methoxypropan-2-yl)-3-[(3-methylthiophen-2-yl)methyl]thiourea
SMILESCOCC(C)NC(=S)NCc1sccc1C
InChIInChI=1S/C11H18N2OS2/c1-8-4-5-16-10(8)6-12-11(15)13-9(2)7-14-3/h4-5,9H,6-7H2,1-3H3,(H2,12,13,15)
InChIKeyWXYCSFYBIQNQIP-UHFFFAOYSA-N
XLogP2.06
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 ≤ 52.06
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-[(3-ethylthiophen-2-yl)methyl]-3-(1-methoxypropan-2-yl)thiourea
CID 113254036
1-(1-methoxypropan-2-yl)-3-(pyridin-4-ylmethyl)thiourea
CID 115570382
1-(1-methoxypropan-2-yl)-3-(pyridin-2-ylmethyl)thiourea
CID 115570381
2-methoxy-N-[(3-methylthiophen-2-yl)methyl]propanamide
CID 115588265
1-(1-methoxypropan-2-yl)-3-[2-(1,3-thiazol-2-yl)ethyl]thiourea
CID 49314742
N-[(2R)-1-methoxypropan-2-yl]-3-methylthiophene-2-carboxamide
CID 51969435
1-[(2-chlorophenyl)methyl]-3-(1-methoxypropan-2-yl)thiourea
CID 115570468
1-(1-methoxypropan-2-yl)-3-(1-thiophen-2-ylethyl)thiourea
CID 115570731
1-(1-methoxypropan-2-yl)-3-[(2-methylpyrazol-3-yl)methyl]thiourea
CID 115583338
N'-(1-methoxypropan-2-yl)-N'-methyl-N-[(3-methylthiophen-2-yl)methyl]ethane-1,2-diamine
CID 62553697
(2R)-1-methoxy-N-[(1S)-1-(3-methylthiophen-2-yl)ethyl]propan-2-amine
CID 95310720
1-(1-methoxypropan-2-yl)-3-[(6-methoxy-3-pyridinyl)methyl]thiourea
CID 115576678

Frequently Asked Questions

What is the IUPAC name of 1-(1-methoxypropan-2-yl)-3-[(3-methylthiophen-2-yl)methyl]thiourea?
The IUPAC name of 1-(1-methoxypropan-2-yl)-3-[(3-methylthiophen-2-yl)methyl]thiourea (CID 115579102) is 1-(1-methoxypropan-2-yl)-3-[(3-methylthiophen-2-yl)methyl]thiourea.
What is the SMILES notation for 1-(1-methoxypropan-2-yl)-3-[(3-methylthiophen-2-yl)methyl]thiourea?
The canonical SMILES for 1-(1-methoxypropan-2-yl)-3-[(3-methylthiophen-2-yl)methyl]thiourea is COCC(C)NC(=S)NCc1sccc1C.
What is the InChIKey of 1-(1-methoxypropan-2-yl)-3-[(3-methylthiophen-2-yl)methyl]thiourea?
The InChIKey is WXYCSFYBIQNQIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2OS2/c1-8-4-5-16-10(8)6-12-11(15)13-9(2)7-14-3/h4-5,9H,6-7H2,1-3H3,(H2,12,13,15).
What are the key properties of 1-(1-methoxypropan-2-yl)-3-[(3-methylthiophen-2-yl)methyl]thiourea?
1-(1-methoxypropan-2-yl)-3-[(3-methylthiophen-2-yl)methyl]thiourea has a molecular weight of 258.41 g/mol, XLogP of 2.06, 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-[(3-methylthiophen-2-yl)methyl]thiourea is sourced from PubChem (CID 115579102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).