1-[1-(2,5-dimethylthiophen-3-yl)ethyl]-3-methylthiourea

C10H16N2S2 — CID 115579469

IUPAC1-[1-(2,5-dimethylthiophen-3-yl)ethyl]-3-methylthiourea
SMILESCNC(=S)NC(C)c1cc(C)sc1C
InChIInChI=1S/C10H16N2S2/c1-6-5-9(8(3)14-6)7(2)12-10(13)11-4/h5,7H,1-4H3,(H2,11,12,13)
InChIKeyVURHCAZFJCYCBT-UHFFFAOYSA-N
MW228.39 g/mol
LogP2.52
Rot. Bonds2

About 1-[1-(2,5-dimethylthiophen-3-yl)ethyl]-3-methylthiourea

1-[1-(2,5-dimethylthiophen-3-yl)ethyl]-3-methylthiourea (PubChem CID 115579469) has the molecular formula C10H16N2S2 and a molecular weight of 228.39 g/mol. Its IUPAC name is 1-[1-(2,5-dimethylthiophen-3-yl)ethyl]-3-methylthiourea.

Molecular Properties

Compound Name1-[1-(2,5-dimethylthiophen-3-yl)ethyl]-3-methylthiourea
PubChem CID115579469
Molecular FormulaC10H16N2S2
Molecular Weight228.39 g/mol
Exact Mass228.08
IUPAC Name1-[1-(2,5-dimethylthiophen-3-yl)ethyl]-3-methylthiourea
SMILESCNC(=S)NC(C)c1cc(C)sc1C
InChIInChI=1S/C10H16N2S2/c1-6-5-9(8(3)14-6)7(2)12-10(13)11-4/h5,7H,1-4H3,(H2,11,12,13)
InChIKeyVURHCAZFJCYCBT-UHFFFAOYSA-N
XLogP2.52
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.39
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-isopropyl-N'-(2-thienylmethyl)thiourea
CID 972147
N5-methyl-4-propyl-4,5,6,7-tetrahydrothieno[3,2-c]pyridine-5-carbothioamide
CID 2739368
N-[(3-methylthiophen-2-yl)methyl]cyclohexanamine
CID 4721499
N5,4-dimethyl-4,5,6,7-tetrahydrothieno[3,2-c]pyridine-5-carbothioamide
CID 2739271
1-(2-Phenylethyl)-3-(thiophen-2-ylmethyl)thiourea
CID 800601
4-(5-Methylthiophen-2-yl)-1,3-dihydroimidazole-2-thione
CID 25142950
4-(4-Methylthiophen-2-yl)-1,3-dihydroimidazole-2-thione
CID 25142954
1-[1-(2,5-Dimethylthiophen-3-yl)ethyl]-3-(2-ethylsulfonylethyl)urea
CID 71933687
1-(2,5-Dimethylthiophen-3-yl)ethan-1-amine
CID 3614460
n-((3-Methylthiophen-2-yl)methyl)heptan-2-amine
CID 16259083
1,1-Dimethyl-3-(thiophen-2-ylmethyl)thiourea
CID 2732032
1-(4-Fluorobenzyl)-3-(thiophen-2-ylmethyl)thiourea
CID 1296118

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2,5-dimethylthiophen-3-yl)ethyl]-3-methylthiourea?
The IUPAC name of 1-[1-(2,5-dimethylthiophen-3-yl)ethyl]-3-methylthiourea (CID 115579469) is 1-[1-(2,5-dimethylthiophen-3-yl)ethyl]-3-methylthiourea.
What is the SMILES notation for 1-[1-(2,5-dimethylthiophen-3-yl)ethyl]-3-methylthiourea?
The canonical SMILES for 1-[1-(2,5-dimethylthiophen-3-yl)ethyl]-3-methylthiourea is CNC(=S)NC(C)c1cc(C)sc1C.
What is the InChIKey of 1-[1-(2,5-dimethylthiophen-3-yl)ethyl]-3-methylthiourea?
The InChIKey is VURHCAZFJCYCBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2S2/c1-6-5-9(8(3)14-6)7(2)12-10(13)11-4/h5,7H,1-4H3,(H2,11,12,13).
What are the key properties of 1-[1-(2,5-dimethylthiophen-3-yl)ethyl]-3-methylthiourea?
1-[1-(2,5-dimethylthiophen-3-yl)ethyl]-3-methylthiourea has a molecular weight of 228.39 g/mol, XLogP of 2.52, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2,5-dimethylthiophen-3-yl)ethyl]-3-methylthiourea is sourced from PubChem (CID 115579469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).