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

C13H20N2OS2 — CID 113227661

IUPAC1-cyclopropyl-3-(1-methoxypropan-2-yl)-1-(thiophen-3-ylmethyl)thiourea
SMILESCOCC(C)NC(=S)N(Cc1ccsc1)C1CC1
InChIInChI=1S/C13H20N2OS2/c1-10(8-16-2)14-13(17)15(12-3-4-12)7-11-5-6-18-9-11/h5-6,9-10,12H,3-4,7-8H2,1-2H3,(H,14,17)
InChIKeyQUIKNNFNSKFADI-UHFFFAOYSA-N
MW284.45 g/mol
LogP2.62
Rot. Bonds6

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

1-cyclopropyl-3-(1-methoxypropan-2-yl)-1-(thiophen-3-ylmethyl)thiourea (PubChem CID 113227661) has the molecular formula C13H20N2OS2 and a molecular weight of 284.45 g/mol. Its IUPAC name is 1-cyclopropyl-3-(1-methoxypropan-2-yl)-1-(thiophen-3-ylmethyl)thiourea.

Molecular Properties

Compound Name1-cyclopropyl-3-(1-methoxypropan-2-yl)-1-(thiophen-3-ylmethyl)thiourea
PubChem CID113227661
Molecular FormulaC13H20N2OS2
Molecular Weight284.45 g/mol
Exact Mass284.10
IUPAC Name1-cyclopropyl-3-(1-methoxypropan-2-yl)-1-(thiophen-3-ylmethyl)thiourea
SMILESCOCC(C)NC(=S)N(Cc1ccsc1)C1CC1
InChIInChI=1S/C13H20N2OS2/c1-10(8-16-2)14-13(17)15(12-3-4-12)7-11-5-6-18-9-11/h5-6,9-10,12H,3-4,7-8H2,1-2H3,(H,14,17)
InChIKeyQUIKNNFNSKFADI-UHFFFAOYSA-N
XLogP2.62
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.45
LogP ≤ 52.62
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

(2S)-2-[[cyclopropyl(thiophen-3-ylmethyl)carbamoyl]amino]propanoic acid
CID 78971232
N-[(2R)-1-methoxypropan-2-yl]-3-thiophen-3-ylpropanamide
CID 51725722
2-chloro-N-[cyclopropyl(thiophen-3-ylmethyl)carbamoyl]propanamide
CID 61439057
2-amino-N-cyclopropyl-N-(thiophen-3-ylmethyl)propanamide
CID 61166609
1-[1-(3-aminobutyl)piperidin-4-yl]-3-methoxy-1-(thiophen-3-ylmethyl)urea
CID 91283939
(2S)-2-amino-N-cyclopropyl-3-methyl-N-(thiophen-3-ylmethyl)butanamide
CID 61168167
1-(1-methoxypropan-2-yl)-2-(thiophen-3-ylmethyl)guanidine;hydroiodide
CID 75482122
N-cyclopropyl-N-(thiophen-3-ylmethyl)carbamoyl chloride
CID 79887165
2-N-cyclopropyl-1-N,3-dimethyl-2-N-(thiophen-3-ylmethyl)butane-1,2-diamine
CID 55072560
N-(cyanomethyl)-N'-cyclopropyl-N'-(thiophen-3-ylmethyl)oxamide
CID 61435264
N-cyclopropyl-2,2,2-trifluoro-N-(thiophen-3-ylmethyl)acetamide
CID 62728427
3-(1-methoxypropan-2-yl)-1-methyl-1-(thiophen-2-ylmethyl)thiourea
CID 115570922

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-3-(1-methoxypropan-2-yl)-1-(thiophen-3-ylmethyl)thiourea?
The IUPAC name of 1-cyclopropyl-3-(1-methoxypropan-2-yl)-1-(thiophen-3-ylmethyl)thiourea (CID 113227661) is 1-cyclopropyl-3-(1-methoxypropan-2-yl)-1-(thiophen-3-ylmethyl)thiourea.
What is the SMILES notation for 1-cyclopropyl-3-(1-methoxypropan-2-yl)-1-(thiophen-3-ylmethyl)thiourea?
The canonical SMILES for 1-cyclopropyl-3-(1-methoxypropan-2-yl)-1-(thiophen-3-ylmethyl)thiourea is COCC(C)NC(=S)N(Cc1ccsc1)C1CC1.
What is the InChIKey of 1-cyclopropyl-3-(1-methoxypropan-2-yl)-1-(thiophen-3-ylmethyl)thiourea?
The InChIKey is QUIKNNFNSKFADI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2OS2/c1-10(8-16-2)14-13(17)15(12-3-4-12)7-11-5-6-18-9-11/h5-6,9-10,12H,3-4,7-8H2,1-2H3,(H,14,17).
What are the key properties of 1-cyclopropyl-3-(1-methoxypropan-2-yl)-1-(thiophen-3-ylmethyl)thiourea?
1-cyclopropyl-3-(1-methoxypropan-2-yl)-1-(thiophen-3-ylmethyl)thiourea has a molecular weight of 284.45 g/mol, XLogP of 2.62, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-3-(1-methoxypropan-2-yl)-1-(thiophen-3-ylmethyl)thiourea is sourced from PubChem (CID 113227661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).