N,N,1,3-tetramethylindene-1-carbothioamide

C14H17NS — CID 10243005

IUPACN,N,1,3-tetramethylindene-1-carbothioamide
SMILESCC1=CC(C)(C(=S)N(C)C)c2ccccc21
InChIInChI=1S/C14H17NS/c1-10-9-14(2,13(16)15(3)4)12-8-6-5-7-11(10)12/h5-9H,1-4H3
InChIKeyJZLJUMCYYUCETG-UHFFFAOYSA-N
MW231.36 g/mol
LogP3.25
Rot. Bonds1

About N,N,1,3-tetramethylindene-1-carbothioamide

N,N,1,3-tetramethylindene-1-carbothioamide (PubChem CID 10243005) has the molecular formula C14H17NS and a molecular weight of 231.36 g/mol. Its IUPAC name is N,N,1,3-tetramethylindene-1-carbothioamide.

Molecular Properties

Compound NameN,N,1,3-tetramethylindene-1-carbothioamide
PubChem CID10243005
Molecular FormulaC14H17NS
Molecular Weight231.36 g/mol
Exact Mass231.11
IUPAC NameN,N,1,3-tetramethylindene-1-carbothioamide
SMILESCC1=CC(C)(C(=S)N(C)C)c2ccccc21
InChIInChI=1S/C14H17NS/c1-10-9-14(2,13(16)15(3)4)12-8-6-5-7-11(10)12/h5-9H,1-4H3
InChIKeyJZLJUMCYYUCETG-UHFFFAOYSA-N
XLogP3.25
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.36
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N,N,1,3-tetramethylindene-1-carbothioamide?
The IUPAC name of N,N,1,3-tetramethylindene-1-carbothioamide (CID 10243005) is N,N,1,3-tetramethylindene-1-carbothioamide.
What is the SMILES notation for N,N,1,3-tetramethylindene-1-carbothioamide?
The canonical SMILES for N,N,1,3-tetramethylindene-1-carbothioamide is CC1=CC(C)(C(=S)N(C)C)c2ccccc21.
What is the InChIKey of N,N,1,3-tetramethylindene-1-carbothioamide?
The InChIKey is JZLJUMCYYUCETG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NS/c1-10-9-14(2,13(16)15(3)4)12-8-6-5-7-11(10)12/h5-9H,1-4H3.
What are the key properties of N,N,1,3-tetramethylindene-1-carbothioamide?
N,N,1,3-tetramethylindene-1-carbothioamide has a molecular weight of 231.36 g/mol, XLogP of 3.25, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N,1,3-tetramethylindene-1-carbothioamide is sourced from PubChem (CID 10243005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).