N'-[(E)-2-cyano-2-(4-methyl-1,3-thiazol-2-yl)ethenyl]-3-(dimethylamino)propanehydrazide

C12H17N5OS — CID 8812404

IUPACN'-[(E)-2-cyano-2-(4-methyl-1,3-thiazol-2-yl)ethenyl]-3-(dimethylamino)propanehydrazide
SMILESCc1csc(/C(C#N)=C/NNC(=O)CCN(C)C)n1
InChIInChI=1S/C12H17N5OS/c1-9-8-19-12(15-9)10(6-13)7-14-16-11(18)4-5-17(2)3/h7-8,14H,4-5H2,1-3H3,(H,16,18)/b10-7+
InChIKeyUVHNBTVSAHYTNH-JXMROGBWSA-N
MW279.37 g/mol
LogP0.89
Rot. Bonds6

About N'-[(E)-2-cyano-2-(4-methyl-1,3-thiazol-2-yl)ethenyl]-3-(dimethylamino)propanehydrazide

N'-[(E)-2-cyano-2-(4-methyl-1,3-thiazol-2-yl)ethenyl]-3-(dimethylamino)propanehydrazide (PubChem CID 8812404) has the molecular formula C12H17N5OS and a molecular weight of 279.37 g/mol. Its IUPAC name is N'-[(E)-2-cyano-2-(4-methyl-1,3-thiazol-2-yl)ethenyl]-3-(dimethylamino)propanehydrazide.

Molecular Properties

Compound NameN'-[(E)-2-cyano-2-(4-methyl-1,3-thiazol-2-yl)ethenyl]-3-(dimethylamino)propanehydrazide
PubChem CID8812404
Molecular FormulaC12H17N5OS
Molecular Weight279.37 g/mol
Exact Mass279.12
IUPAC NameN'-[(E)-2-cyano-2-(4-methyl-1,3-thiazol-2-yl)ethenyl]-3-(dimethylamino)propanehydrazide
SMILESCc1csc(/C(C#N)=C/NNC(=O)CCN(C)C)n1
InChIInChI=1S/C12H17N5OS/c1-9-8-19-12(15-9)10(6-13)7-14-16-11(18)4-5-17(2)3/h7-8,14H,4-5H2,1-3H3,(H,16,18)/b10-7+
InChIKeyUVHNBTVSAHYTNH-JXMROGBWSA-N
XLogP0.89
TPSA81.05 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.37
LogP ≤ 50.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N'-[(E)-2-cyano-2-(4-methyl-1,3-thiazol-2-yl)ethenyl]-4-hydroxybenzohydrazide
CID 8811401
N'-[(E)-2-cyano-2-(4-methyl-1,3-thiazol-2-yl)ethenyl]-2-(3,4-dimethylphenoxy)acetohydrazide
CID 8811709
4-tert-butyl-N'-[(E)-2-cyano-2-(4-methyl-1,3-thiazol-2-yl)ethenyl]benzohydrazide
CID 8811780
N'-[(E)-2-cyano-2-(4-methyl-1,3-thiazol-2-yl)ethenyl]-2-(2-oxoazepan-1-yl)acetohydrazide
CID 8812614
2-(2-benzylphenoxy)-N'-[(E)-2-cyano-2-(4-methyl-1,3-thiazol-2-yl)ethenyl]acetohydrazide
CID 8811671
N'-[(E)-2-cyano-2-(4-methyl-1,3-thiazol-2-yl)ethenyl]-5-ethyl-4-methylthiophene-2-carbohydrazide
CID 8812427
(E)-3-[2-[di(propan-2-yl)amino]ethylamino]-2-(4-methyl-1,3-thiazol-2-yl)prop-2-enenitrile
CID 24502053
N'-[(E)-2-cyano-2-(4-methyl-1,3-thiazol-2-yl)ethenyl]-2-[2-(trifluoromethyl)benzimidazol-1-yl]acetohydrazide
CID 8812406
(E)-3-[3-(diethylamino)propylamino]-2-(4-methyl-1,3-thiazol-2-yl)prop-2-enenitrile
CID 24502043
(E)-3-(2-ethylanilino)-2-(4-methyl-1,3-thiazol-2-yl)prop-2-enenitrile
CID 8811777
(E)-3-anilino-2-(4-methyl-1,3-thiazol-2-yl)prop-2-enenitrile
CID 8811112
N'-[(E)-2-cyano-2-(4-methyl-1,3-thiazol-2-yl)ethenyl]-3-methyl-4-oxophthalazine-1-carbohydrazide
CID 8811876

Frequently Asked Questions

What is the IUPAC name of N'-[(E)-2-cyano-2-(4-methyl-1,3-thiazol-2-yl)ethenyl]-3-(dimethylamino)propanehydrazide?
The IUPAC name of N'-[(E)-2-cyano-2-(4-methyl-1,3-thiazol-2-yl)ethenyl]-3-(dimethylamino)propanehydrazide (CID 8812404) is N'-[(E)-2-cyano-2-(4-methyl-1,3-thiazol-2-yl)ethenyl]-3-(dimethylamino)propanehydrazide.
What is the SMILES notation for N'-[(E)-2-cyano-2-(4-methyl-1,3-thiazol-2-yl)ethenyl]-3-(dimethylamino)propanehydrazide?
The canonical SMILES for N'-[(E)-2-cyano-2-(4-methyl-1,3-thiazol-2-yl)ethenyl]-3-(dimethylamino)propanehydrazide is Cc1csc(/C(C#N)=C/NNC(=O)CCN(C)C)n1.
What is the InChIKey of N'-[(E)-2-cyano-2-(4-methyl-1,3-thiazol-2-yl)ethenyl]-3-(dimethylamino)propanehydrazide?
The InChIKey is UVHNBTVSAHYTNH-JXMROGBWSA-N. The full InChI is InChI=1S/C12H17N5OS/c1-9-8-19-12(15-9)10(6-13)7-14-16-11(18)4-5-17(2)3/h7-8,14H,4-5H2,1-3H3,(H,16,18)/b10-7+.
What are the key properties of N'-[(E)-2-cyano-2-(4-methyl-1,3-thiazol-2-yl)ethenyl]-3-(dimethylamino)propanehydrazide?
N'-[(E)-2-cyano-2-(4-methyl-1,3-thiazol-2-yl)ethenyl]-3-(dimethylamino)propanehydrazide has a molecular weight of 279.37 g/mol, XLogP of 0.89, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(E)-2-cyano-2-(4-methyl-1,3-thiazol-2-yl)ethenyl]-3-(dimethylamino)propanehydrazide is sourced from PubChem (CID 8812404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).