1-(3-methoxypropyl)-3-(2-methyl-1-thiophen-2-ylpropyl)thiourea

C13H22N2OS2 — CID 115573195

IUPAC1-(3-methoxypropyl)-3-(2-methyl-1-thiophen-2-ylpropyl)thiourea
SMILESCOCCCNC(=S)NC(c1cccs1)C(C)C
InChIInChI=1S/C13H22N2OS2/c1-10(2)12(11-6-4-9-18-11)15-13(17)14-7-5-8-16-3/h4,6,9-10,12H,5,7-8H2,1-3H3,(H2,14,15,17)
InChIKeyJDEOCZAAUIXLRN-UHFFFAOYSA-N
MW286.47 g/mol
LogP2.95
Rot. Bonds7

About 1-(3-methoxypropyl)-3-(2-methyl-1-thiophen-2-ylpropyl)thiourea

1-(3-methoxypropyl)-3-(2-methyl-1-thiophen-2-ylpropyl)thiourea (PubChem CID 115573195) has the molecular formula C13H22N2OS2 and a molecular weight of 286.47 g/mol. Its IUPAC name is 1-(3-methoxypropyl)-3-(2-methyl-1-thiophen-2-ylpropyl)thiourea.

Molecular Properties

Compound Name1-(3-methoxypropyl)-3-(2-methyl-1-thiophen-2-ylpropyl)thiourea
PubChem CID115573195
Molecular FormulaC13H22N2OS2
Molecular Weight286.47 g/mol
Exact Mass286.12
IUPAC Name1-(3-methoxypropyl)-3-(2-methyl-1-thiophen-2-ylpropyl)thiourea
SMILESCOCCCNC(=S)NC(c1cccs1)C(C)C
InChIInChI=1S/C13H22N2OS2/c1-10(2)12(11-6-4-9-18-11)15-13(17)14-7-5-8-16-3/h4,6,9-10,12H,5,7-8H2,1-3H3,(H2,14,15,17)
InChIKeyJDEOCZAAUIXLRN-UHFFFAOYSA-N
XLogP2.95
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.47
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(2-methoxyethyl)-3-(1-thiophen-2-ylpropan-2-yl)thiourea
CID 115579604
2-amino-N-(4-methoxybutyl)-2-thiophen-2-ylacetamide
CID 115287104
1-(1-methoxypropan-2-yl)-3-(1-thiophen-2-ylethyl)thiourea
CID 115570731
1-[(2S)-butan-2-yl]-3-(3-methoxypropyl)thiourea
CID 40553594
1,3-bis(2-methyl-1-thiophen-2-ylpropyl)urea
CID 47023834
N-[4-(1-methoxypropan-2-ylamino)-4-oxobutyl]thiophene-2-carboxamide
CID 51180809
(2R)-N-(3-methoxypropyl)-3-methyl-2-(thiophen-2-ylsulfonylamino)butanamide
CID 41111123
2-[2-methoxyethyl-[(2-methyl-1-thiophen-2-ylpropyl)carbamoyl]amino]acetic acid
CID 79270902
1-[1-(4-ethoxyphenyl)ethyl]-3-(3-methoxypropyl)thiourea
CID 19583934
N-[2-(3-methoxypropylsulfanyl)ethyl]-1-thiophen-2-ylethanamine
CID 63856707
2-[2-hydroxyethyl(2-methoxyethyl)amino]-N-(2-methyl-1-thiophen-2-ylpropyl)acetamide
CID 115613728
1-benzyl-3-(3-methoxypropyl)thiourea
CID 19649292

Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxypropyl)-3-(2-methyl-1-thiophen-2-ylpropyl)thiourea?
The IUPAC name of 1-(3-methoxypropyl)-3-(2-methyl-1-thiophen-2-ylpropyl)thiourea (CID 115573195) is 1-(3-methoxypropyl)-3-(2-methyl-1-thiophen-2-ylpropyl)thiourea.
What is the SMILES notation for 1-(3-methoxypropyl)-3-(2-methyl-1-thiophen-2-ylpropyl)thiourea?
The canonical SMILES for 1-(3-methoxypropyl)-3-(2-methyl-1-thiophen-2-ylpropyl)thiourea is COCCCNC(=S)NC(c1cccs1)C(C)C.
What is the InChIKey of 1-(3-methoxypropyl)-3-(2-methyl-1-thiophen-2-ylpropyl)thiourea?
The InChIKey is JDEOCZAAUIXLRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2OS2/c1-10(2)12(11-6-4-9-18-11)15-13(17)14-7-5-8-16-3/h4,6,9-10,12H,5,7-8H2,1-3H3,(H2,14,15,17).
What are the key properties of 1-(3-methoxypropyl)-3-(2-methyl-1-thiophen-2-ylpropyl)thiourea?
1-(3-methoxypropyl)-3-(2-methyl-1-thiophen-2-ylpropyl)thiourea has a molecular weight of 286.47 g/mol, XLogP of 2.95, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methoxypropyl)-3-(2-methyl-1-thiophen-2-ylpropyl)thiourea is sourced from PubChem (CID 115573195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).