3-amino-N,N-dimethyl-5-phenylthiophene-2-carbothioamide

C13H14N2S2 — CID 15269809

IUPAC3-amino-N,N-dimethyl-5-phenylthiophene-2-carbothioamide
SMILESCN(C)C(=S)c1sc(-c2ccccc2)cc1N
InChIInChI=1S/C13H14N2S2/c1-15(2)13(16)12-10(14)8-11(17-12)9-6-4-3-5-7-9/h3-8H,14H2,1-2H3
InChIKeyOXGSLUIDHFFUAL-UHFFFAOYSA-N
MW262.40 g/mol
LogP3.23
Rot. Bonds2

About 3-amino-N,N-dimethyl-5-phenylthiophene-2-carbothioamide

3-amino-N,N-dimethyl-5-phenylthiophene-2-carbothioamide (PubChem CID 15269809) has the molecular formula C13H14N2S2 and a molecular weight of 262.40 g/mol. Its IUPAC name is 3-amino-N,N-dimethyl-5-phenylthiophene-2-carbothioamide.

Molecular Properties

Compound Name3-amino-N,N-dimethyl-5-phenylthiophene-2-carbothioamide
PubChem CID15269809
Molecular FormulaC13H14N2S2
Molecular Weight262.40 g/mol
Exact Mass262.06
IUPAC Name3-amino-N,N-dimethyl-5-phenylthiophene-2-carbothioamide
SMILESCN(C)C(=S)c1sc(-c2ccccc2)cc1N
InChIInChI=1S/C13H14N2S2/c1-15(2)13(16)12-10(14)8-11(17-12)9-6-4-3-5-7-9/h3-8H,14H2,1-2H3
InChIKeyOXGSLUIDHFFUAL-UHFFFAOYSA-N
XLogP3.23
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 53.23
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

2-amino-N,N-dimethyl-alpha-(3-methyl-2-thienyl)benzeneethanamine
CID 10061179
2-[2-(3-Methylthiophen-2-yl)-2-(propylamino)ethyl]aniline;hydrochloride
CID 45261382
2-[2-(Methylamino)-2-(3-methylthiophen-2-yl)ethyl]aniline;hydrochloride
CID 45261385
2-[2-(Ethylamino)-2-(3-methylthiophen-2-yl)ethyl]aniline;hydrochloride
CID 45261407
2-[2-(dimethylamino)-2-(3-methylthiophen-2-yl)ethyl]-N-methylaniline
CID 10061927
2-[2-(Methylamino)-2-(5-methylthiophen-2-yl)ethyl]aniline
CID 11776690
2-[2-(Methylamino)-2-thiophen-2-ylethyl]aniline;hydrochloride
CID 45261350
2-amino-N-methyl-alpha-(2-thienyl)benzeneethanamine
CID 10263363
Compound 7189
CID 130176
Compound 8319
CID 3035610
2-(2-thienyl)-N-methylaniline
CID 13555332
4-{5-[(2E)-but-2-en-2-yl]thiophen-2-yl}-N,N-dimethylaniline
CID 162394539

Frequently Asked Questions

What is the IUPAC name of 3-amino-N,N-dimethyl-5-phenylthiophene-2-carbothioamide?
The IUPAC name of 3-amino-N,N-dimethyl-5-phenylthiophene-2-carbothioamide (CID 15269809) is 3-amino-N,N-dimethyl-5-phenylthiophene-2-carbothioamide.
What is the SMILES notation for 3-amino-N,N-dimethyl-5-phenylthiophene-2-carbothioamide?
The canonical SMILES for 3-amino-N,N-dimethyl-5-phenylthiophene-2-carbothioamide is CN(C)C(=S)c1sc(-c2ccccc2)cc1N.
What is the InChIKey of 3-amino-N,N-dimethyl-5-phenylthiophene-2-carbothioamide?
The InChIKey is OXGSLUIDHFFUAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2S2/c1-15(2)13(16)12-10(14)8-11(17-12)9-6-4-3-5-7-9/h3-8H,14H2,1-2H3.
What are the key properties of 3-amino-N,N-dimethyl-5-phenylthiophene-2-carbothioamide?
3-amino-N,N-dimethyl-5-phenylthiophene-2-carbothioamide has a molecular weight of 262.40 g/mol, XLogP of 3.23, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N,N-dimethyl-5-phenylthiophene-2-carbothioamide is sourced from PubChem (CID 15269809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).