3-ethyl-1-methyl-1-(1-thiophen-2-ylpropan-2-yl)thiourea

C11H18N2S2 — CID 115673594

IUPAC3-ethyl-1-methyl-1-(1-thiophen-2-ylpropan-2-yl)thiourea
SMILESCCNC(=S)N(C)C(C)Cc1cccs1
InChIInChI=1S/C11H18N2S2/c1-4-12-11(14)13(3)9(2)8-10-6-5-7-15-10/h5-7,9H,4,8H2,1-3H3,(H,12,14)
InChIKeyZNHHOJYYVJSIJJ-UHFFFAOYSA-N
MW242.41 g/mol
LogP2.51
Rot. Bonds4

About 3-ethyl-1-methyl-1-(1-thiophen-2-ylpropan-2-yl)thiourea

3-ethyl-1-methyl-1-(1-thiophen-2-ylpropan-2-yl)thiourea (PubChem CID 115673594) has the molecular formula C11H18N2S2 and a molecular weight of 242.41 g/mol. Its IUPAC name is 3-ethyl-1-methyl-1-(1-thiophen-2-ylpropan-2-yl)thiourea.

Molecular Properties

Compound Name3-ethyl-1-methyl-1-(1-thiophen-2-ylpropan-2-yl)thiourea
PubChem CID115673594
Molecular FormulaC11H18N2S2
Molecular Weight242.41 g/mol
Exact Mass242.09
IUPAC Name3-ethyl-1-methyl-1-(1-thiophen-2-ylpropan-2-yl)thiourea
SMILESCCNC(=S)N(C)C(C)Cc1cccs1
InChIInChI=1S/C11H18N2S2/c1-4-12-11(14)13(3)9(2)8-10-6-5-7-15-10/h5-7,9H,4,8H2,1-3H3,(H,12,14)
InChIKeyZNHHOJYYVJSIJJ-UHFFFAOYSA-N
XLogP2.51
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.41
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-cyclopropyl-1-methyl-1-(1-thiophen-2-ylpropan-2-yl)thiourea
CID 115673593
3-cyclopentyl-1-methyl-1-(1-thiophen-2-ylpropan-2-yl)thiourea
CID 116509360
2-iodo-N-methyl-N-(1-thiophen-2-ylpropan-2-yl)benzamide
CID 79493991
4-[methyl(1-thiophen-2-ylpropan-2-yl)carbamoyl]benzoic acid
CID 79488943
3-amino-N-methyl-N-(1-thiophen-2-ylpropan-2-yl)propanamide
CID 79494414
2-(2-hydroxyphenyl)-N-methyl-N-[(2S)-1-thiophen-2-ylpropan-2-yl]acetamide
CID 96570370
4-amino-N-methyl-N-(1-thiophen-2-ylpropan-2-yl)benzamide
CID 79470906
4-hydrazinyl-N-methyl-N-(1-thiophen-2-ylpropan-2-yl)benzamide
CID 79487999
1-[methyl(1-thiophen-2-ylpropan-2-yl)amino]propan-2-ol
CID 79485730
2-[[2-[[methyl(1-thiophen-2-ylpropan-2-yl)carbamoyl]amino]acetyl]amino]acetic acid
CID 79488505
(2R)-2-amino-N-methyl-2-phenyl-N-(1-thiophen-2-ylpropan-2-yl)acetamide
CID 79494338
N'-methyl-N'-(1-thiophen-2-ylpropan-2-yl)ethane-1,2-diamine
CID 79470909

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1-methyl-1-(1-thiophen-2-ylpropan-2-yl)thiourea?
The IUPAC name of 3-ethyl-1-methyl-1-(1-thiophen-2-ylpropan-2-yl)thiourea (CID 115673594) is 3-ethyl-1-methyl-1-(1-thiophen-2-ylpropan-2-yl)thiourea.
What is the SMILES notation for 3-ethyl-1-methyl-1-(1-thiophen-2-ylpropan-2-yl)thiourea?
The canonical SMILES for 3-ethyl-1-methyl-1-(1-thiophen-2-ylpropan-2-yl)thiourea is CCNC(=S)N(C)C(C)Cc1cccs1.
What is the InChIKey of 3-ethyl-1-methyl-1-(1-thiophen-2-ylpropan-2-yl)thiourea?
The InChIKey is ZNHHOJYYVJSIJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2S2/c1-4-12-11(14)13(3)9(2)8-10-6-5-7-15-10/h5-7,9H,4,8H2,1-3H3,(H,12,14).
What are the key properties of 3-ethyl-1-methyl-1-(1-thiophen-2-ylpropan-2-yl)thiourea?
3-ethyl-1-methyl-1-(1-thiophen-2-ylpropan-2-yl)thiourea has a molecular weight of 242.41 g/mol, XLogP of 2.51, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1-methyl-1-(1-thiophen-2-ylpropan-2-yl)thiourea is sourced from PubChem (CID 115673594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).