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

C13H19N3OS — CID 116849848

IUPAC2-amino-2-(3,4-dihydro-2H-thiochromen-6-yl)-N',N'-dimethylacetohydrazide
SMILESCN(C)NC(=O)C(N)c1ccc2c(c1)CCCS2
InChIInChI=1S/C13H19N3OS/c1-16(2)15-13(17)12(14)10-5-6-11-9(8-10)4-3-7-18-11/h5-6,8,12H,3-4,7,14H2,1-2H3,(H,15,17)
InChIKeyUAKDYWZSCNSUAQ-UHFFFAOYSA-N
MW265.38 g/mol
LogP1.32
Rot. Bonds3

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

2-amino-2-(3,4-dihydro-2H-thiochromen-6-yl)-N',N'-dimethylacetohydrazide (PubChem CID 116849848) has the molecular formula C13H19N3OS and a molecular weight of 265.38 g/mol. Its IUPAC name is 2-amino-2-(3,4-dihydro-2H-thiochromen-6-yl)-N',N'-dimethylacetohydrazide.

Molecular Properties

Compound Name2-amino-2-(3,4-dihydro-2H-thiochromen-6-yl)-N',N'-dimethylacetohydrazide
PubChem CID116849848
Molecular FormulaC13H19N3OS
Molecular Weight265.38 g/mol
Exact Mass265.12
IUPAC Name2-amino-2-(3,4-dihydro-2H-thiochromen-6-yl)-N',N'-dimethylacetohydrazide
SMILESCN(C)NC(=O)C(N)c1ccc2c(c1)CCCS2
InChIInChI=1S/C13H19N3OS/c1-16(2)15-13(17)12(14)10-5-6-11-9(8-10)4-3-7-18-11/h5-6,8,12H,3-4,7,14H2,1-2H3,(H,15,17)
InChIKeyUAKDYWZSCNSUAQ-UHFFFAOYSA-N
XLogP1.32
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.38
LogP ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(3,4-dihydro-2H-thiochromen-6-yl)-N',N'-dimethylacetohydrazide
CID 116847499
3-amino-3-(3,4-dihydro-2H-thiochromen-6-yl)-2,2-dimethylpropanoic acid
CID 116937979
methyl 2-(3,4-dihydro-2H-thiochromen-6-yl)-2-(methylamino)acetate
CID 116857043
methyl 2-(3,4-dihydro-2H-thiochromen-6-yl)butanoate
CID 116964438
5-amino-5-(3,4-dihydro-2H-thiochromen-6-yl)pentanoic acid
CID 116937871
2,3-diamino-3-(3,4-dihydro-2H-thiochromen-6-yl)propan-1-ol
CID 116942431
2-amino-N',N'-dimethyl-2-(2-oxo-1,3-dihydroindol-5-yl)acetohydrazide
CID 116849801
2-(3,4-dihydro-2H-thiochromen-6-yl)butan-1-ol
CID 116964166
1-(3,4-dihydro-2H-thiochromen-6-yl)-N,2-dimethylpropane-1,3-diamine
CID 116948767
[1-[amino(3,4-dihydro-2H-thiochromen-6-yl)methyl]cyclopropyl]methanol
CID 116943281
1-(3,4-dihydro-2H-thiochromen-6-yl)-3-methylbutane-1,4-diamine
CID 116934230
1-(3,4-dihydro-2H-thiochromen-6-yl)-2,2,2-trifluoro-N-methylethanamine
CID 116961411

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-(3,4-dihydro-2H-thiochromen-6-yl)-N',N'-dimethylacetohydrazide?
The IUPAC name of 2-amino-2-(3,4-dihydro-2H-thiochromen-6-yl)-N',N'-dimethylacetohydrazide (CID 116849848) is 2-amino-2-(3,4-dihydro-2H-thiochromen-6-yl)-N',N'-dimethylacetohydrazide.
What is the SMILES notation for 2-amino-2-(3,4-dihydro-2H-thiochromen-6-yl)-N',N'-dimethylacetohydrazide?
The canonical SMILES for 2-amino-2-(3,4-dihydro-2H-thiochromen-6-yl)-N',N'-dimethylacetohydrazide is CN(C)NC(=O)C(N)c1ccc2c(c1)CCCS2.
What is the InChIKey of 2-amino-2-(3,4-dihydro-2H-thiochromen-6-yl)-N',N'-dimethylacetohydrazide?
The InChIKey is UAKDYWZSCNSUAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3OS/c1-16(2)15-13(17)12(14)10-5-6-11-9(8-10)4-3-7-18-11/h5-6,8,12H,3-4,7,14H2,1-2H3,(H,15,17).
What are the key properties of 2-amino-2-(3,4-dihydro-2H-thiochromen-6-yl)-N',N'-dimethylacetohydrazide?
2-amino-2-(3,4-dihydro-2H-thiochromen-6-yl)-N',N'-dimethylacetohydrazide has a molecular weight of 265.38 g/mol, XLogP of 1.32, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-(3,4-dihydro-2H-thiochromen-6-yl)-N',N'-dimethylacetohydrazide is sourced from PubChem (CID 116849848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).