4-methyl-N-(thiophen-2-ylmethyl)benzenecarbothioamide;propane

C16H21NS2 — CID 142937606

IUPAC4-methyl-N-(thiophen-2-ylmethyl)benzenecarbothioamide;propane
SMILESCCC.Cc1ccc(C(=S)NCc2cccs2)cc1
InChIInChI=1S/C13H13NS2.C3H8/c1-10-4-6-11(7-5-10)13(15)14-9-12-3-2-8-16-12;1-3-2/h2-8H,9H2,1H3,(H,14,15);3H2,1-2H3
InChIKeyWZZNOQKRBXHHQD-UHFFFAOYSA-N
MW291.49 g/mol
LogP4.94
Rot. Bonds3

About 4-methyl-N-(thiophen-2-ylmethyl)benzenecarbothioamide;propane

4-methyl-N-(thiophen-2-ylmethyl)benzenecarbothioamide;propane (PubChem CID 142937606) has the molecular formula C16H21NS2 and a molecular weight of 291.49 g/mol. Its IUPAC name is 4-methyl-N-(thiophen-2-ylmethyl)benzenecarbothioamide;propane.

Molecular Properties

Compound Name4-methyl-N-(thiophen-2-ylmethyl)benzenecarbothioamide;propane
PubChem CID142937606
Molecular FormulaC16H21NS2
Molecular Weight291.49 g/mol
Exact Mass291.11
IUPAC Name4-methyl-N-(thiophen-2-ylmethyl)benzenecarbothioamide;propane
SMILESCCC.Cc1ccc(C(=S)NCc2cccs2)cc1
InChIInChI=1S/C13H13NS2.C3H8/c1-10-4-6-11(7-5-10)13(15)14-9-12-3-2-8-16-12;1-3-2/h2-8H,9H2,1H3,(H,14,15);3H2,1-2H3
InChIKeyWZZNOQKRBXHHQD-UHFFFAOYSA-N
XLogP4.94
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.49
LogP ≤ 54.94
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-methyl-2-(4-methylphenoxy)-N-(thiophen-2-ylmethyl)pentanamide
CID 174883197
4-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]-N-(thiophen-2-ylmethyl)benzamide
CID 134030447
ethyl N-(thiophen-2-ylmethylcarbamothioyl)carbamate
CID 2824600
N-ethyl-4-methyl-N-(thiophen-2-ylmethyl)benzamide
CID 134014370
N,N'-bis(thiophen-2-ylmethyl)oxamide
CID 6421749
2-(4-methylphenoxy)-N-(thiophen-2-ylmethyl)propanamide
CID 42994656
2-[(4-methylphenyl)methylcarbamoylamino]-N-(thiophen-2-ylmethyl)acetamide
CID 46571619
2-[ethyl-[2-hydroxy-2-(4-methylphenyl)ethyl]amino]-N-(thiophen-2-ylmethyl)acetamide
CID 111487300
3-bromo-4-methyl-N-(thiophen-2-ylmethyl)benzamide
CID 79460548
N-(thiophen-2-ylmethylcarbamothioyl)benzamide
CID 892758
1-cyclopropyl-3-(thiophen-2-ylmethyl)thiourea
CID 2730103
2-methyl-2-(methylamino)-N-(thiophen-2-ylmethyl)propanamide
CID 62835443

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-(thiophen-2-ylmethyl)benzenecarbothioamide;propane?
The IUPAC name of 4-methyl-N-(thiophen-2-ylmethyl)benzenecarbothioamide;propane (CID 142937606) is 4-methyl-N-(thiophen-2-ylmethyl)benzenecarbothioamide;propane.
What is the SMILES notation for 4-methyl-N-(thiophen-2-ylmethyl)benzenecarbothioamide;propane?
The canonical SMILES for 4-methyl-N-(thiophen-2-ylmethyl)benzenecarbothioamide;propane is CCC.Cc1ccc(C(=S)NCc2cccs2)cc1.
What is the InChIKey of 4-methyl-N-(thiophen-2-ylmethyl)benzenecarbothioamide;propane?
The InChIKey is WZZNOQKRBXHHQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13NS2.C3H8/c1-10-4-6-11(7-5-10)13(15)14-9-12-3-2-8-16-12;1-3-2/h2-8H,9H2,1H3,(H,14,15);3H2,1-2H3.
What are the key properties of 4-methyl-N-(thiophen-2-ylmethyl)benzenecarbothioamide;propane?
4-methyl-N-(thiophen-2-ylmethyl)benzenecarbothioamide;propane has a molecular weight of 291.49 g/mol, XLogP of 4.94, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-(thiophen-2-ylmethyl)benzenecarbothioamide;propane is sourced from PubChem (CID 142937606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).