2-(3,4-dihydro-2H-thiochromen-6-yl)-N',N'-dimethylacetohydrazide

C13H18N2OS — CID 116847499

IUPAC2-(3,4-dihydro-2H-thiochromen-6-yl)-N',N'-dimethylacetohydrazide
SMILESCN(C)NC(=O)Cc1ccc2c(c1)CCCS2
InChIInChI=1S/C13H18N2OS/c1-15(2)14-13(16)9-10-5-6-12-11(8-10)4-3-7-17-12/h5-6,8H,3-4,7,9H2,1-2H3,(H,14,16)
InChIKeyRQOQDGNOWIJAIF-UHFFFAOYSA-N
MW250.37 g/mol
LogP1.86
Rot. Bonds3

About 2-(3,4-dihydro-2H-thiochromen-6-yl)-N',N'-dimethylacetohydrazide

2-(3,4-dihydro-2H-thiochromen-6-yl)-N',N'-dimethylacetohydrazide (PubChem CID 116847499) has the molecular formula C13H18N2OS and a molecular weight of 250.37 g/mol. Its IUPAC name is 2-(3,4-dihydro-2H-thiochromen-6-yl)-N',N'-dimethylacetohydrazide.

Molecular Properties

Compound Name2-(3,4-dihydro-2H-thiochromen-6-yl)-N',N'-dimethylacetohydrazide
PubChem CID116847499
Molecular FormulaC13H18N2OS
Molecular Weight250.37 g/mol
Exact Mass250.11
IUPAC Name2-(3,4-dihydro-2H-thiochromen-6-yl)-N',N'-dimethylacetohydrazide
SMILESCN(C)NC(=O)Cc1ccc2c(c1)CCCS2
InChIInChI=1S/C13H18N2OS/c1-15(2)14-13(16)9-10-5-6-12-11(8-10)4-3-7-17-12/h5-6,8H,3-4,7,9H2,1-2H3,(H,14,16)
InChIKeyRQOQDGNOWIJAIF-UHFFFAOYSA-N
XLogP1.86
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.37
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(4-acetamidophenyl)-2-(3,4-dihydro-2H-thiochromen-6-yl)acetamide
CID 110774273
ethyl 2-(3,4-dihydro-2H-thiochromen-6-yl)acetate
CID 116932100
2-amino-2-(3,4-dihydro-2H-thiochromen-6-yl)-N',N'-dimethylacetohydrazide
CID 116849848
2-(3,4-dihydro-2H-thiochromen-6-ylmethyl)prop-2-enoic acid
CID 116866278
2-[3,4-dihydro-2H-thiochromen-6-ylmethyl(methyl)amino]-2-oxoacetic acid
CID 115141424
[3,4-dihydro-2H-thiochromen-6-ylmethyl(methyl)amino]methanol
CID 115229206
N-[2-(3,4-dihydro-2H-thiochromen-6-yl)ethyl]-N-methylcarbamoyl chloride
CID 115195091
1-(3,4-dihydro-2H-thiochromen-6-yl)-N-(methoxymethyl)-N-methylmethanamine
CID 115258750
1-(4-acetyl-1,4-diazepan-1-yl)-2-(3,4-dihydro-2H-thiochromen-6-yl)ethanone
CID 110805699
1-[4-[2-(3,4-dihydro-2H-thiochromen-6-yl)acetyl]piperazin-1-yl]-3,3-dimethylbutan-1-one
CID 110804073
3-amino-N-(3,4-dihydro-2H-thiochromen-6-ylmethyl)butanamide
CID 115154228
2-(3,4-dihydro-2H-thiochromen-6-yl)-N-ethyl-N-methylethanamine
CID 115259640

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dihydro-2H-thiochromen-6-yl)-N',N'-dimethylacetohydrazide?
The IUPAC name of 2-(3,4-dihydro-2H-thiochromen-6-yl)-N',N'-dimethylacetohydrazide (CID 116847499) is 2-(3,4-dihydro-2H-thiochromen-6-yl)-N',N'-dimethylacetohydrazide.
What is the SMILES notation for 2-(3,4-dihydro-2H-thiochromen-6-yl)-N',N'-dimethylacetohydrazide?
The canonical SMILES for 2-(3,4-dihydro-2H-thiochromen-6-yl)-N',N'-dimethylacetohydrazide is CN(C)NC(=O)Cc1ccc2c(c1)CCCS2.
What is the InChIKey of 2-(3,4-dihydro-2H-thiochromen-6-yl)-N',N'-dimethylacetohydrazide?
The InChIKey is RQOQDGNOWIJAIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2OS/c1-15(2)14-13(16)9-10-5-6-12-11(8-10)4-3-7-17-12/h5-6,8H,3-4,7,9H2,1-2H3,(H,14,16).
What are the key properties of 2-(3,4-dihydro-2H-thiochromen-6-yl)-N',N'-dimethylacetohydrazide?
2-(3,4-dihydro-2H-thiochromen-6-yl)-N',N'-dimethylacetohydrazide has a molecular weight of 250.37 g/mol, XLogP of 1.86, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dihydro-2H-thiochromen-6-yl)-N',N'-dimethylacetohydrazide is sourced from PubChem (CID 116847499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).