1-[[2-(hydrazinecarbonyl)-1,3-thiazol-4-yl]methyl]-N-methylpiperidine-3-carboxamide

C12H19N5O2S — CID 103198388

IUPAC1-[[2-(hydrazinecarbonyl)-1,3-thiazol-4-yl]methyl]-N-methylpiperidine-3-carboxamide
SMILESCNC(=O)C1CCCN(Cc2csc(C(=O)NN)n2)C1
InChIInChI=1S/C12H19N5O2S/c1-14-10(18)8-3-2-4-17(5-8)6-9-7-20-12(15-9)11(19)16-13/h7-8H,2-6,13H2,1H3,(H,14,18)(H,16,19)
InChIKeyDNZMDUTWKDKMGU-UHFFFAOYSA-N
MW297.38 g/mol
LogP-0.30
Rot. Bonds4

About 1-[[2-(hydrazinecarbonyl)-1,3-thiazol-4-yl]methyl]-N-methylpiperidine-3-carboxamide

1-[[2-(hydrazinecarbonyl)-1,3-thiazol-4-yl]methyl]-N-methylpiperidine-3-carboxamide (PubChem CID 103198388) has the molecular formula C12H19N5O2S and a molecular weight of 297.38 g/mol. Its IUPAC name is 1-[[2-(hydrazinecarbonyl)-1,3-thiazol-4-yl]methyl]-N-methylpiperidine-3-carboxamide.

Molecular Properties

Compound Name1-[[2-(hydrazinecarbonyl)-1,3-thiazol-4-yl]methyl]-N-methylpiperidine-3-carboxamide
PubChem CID103198388
Molecular FormulaC12H19N5O2S
Molecular Weight297.38 g/mol
Exact Mass297.13
IUPAC Name1-[[2-(hydrazinecarbonyl)-1,3-thiazol-4-yl]methyl]-N-methylpiperidine-3-carboxamide
SMILESCNC(=O)C1CCCN(Cc2csc(C(=O)NN)n2)C1
InChIInChI=1S/C12H19N5O2S/c1-14-10(18)8-3-2-4-17(5-8)6-9-7-20-12(15-9)11(19)16-13/h7-8H,2-6,13H2,1H3,(H,14,18)(H,16,19)
InChIKeyDNZMDUTWKDKMGU-UHFFFAOYSA-N
XLogP-0.30
TPSA100.35 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.38
LogP ≤ 5-0.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

1-[[2-(hydrazinecarbonyl)-1,3-thiazol-4-yl]methyl]-N-methylpyrrolidine-2-carboxamide
CID 63578585
4-[[4-(hydroxymethyl)piperidin-1-yl]methyl]-1,3-thiazole-2-carbohydrazide
CID 55212834
4-[(2-methylmorpholin-4-yl)methyl]-1,3-thiazole-2-carbohydrazide
CID 63568492
4-[[4-(methoxymethyl)piperidin-1-yl]methyl]-1,3-thiazole-2-carbohydrazide
CID 63979914
4-[(4-cyclopropylpiperazin-1-yl)methyl]-1,3-thiazole-2-carbohydrazide
CID 55212106
N-(2-aminoethyl)-1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidine-3-carboxamide
CID 63251974
4-[[2-(hydrazinecarbonyl)-1,3-thiazol-4-yl]methyl]-N-methylmorpholine-3-carboxamide
CID 83105768
4-[[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]methyl]-1,3-thiazole-2-carbohydrazide
CID 107226638
4-[[4-(2-hydroxyethoxy)piperidin-1-yl]methyl]-1,3-thiazole-2-carbohydrazide
CID 82701792
4-[[2-(hydroxymethyl)pyrrolidin-1-yl]methyl]-1,3-thiazole-2-carbohydrazide
CID 63583136
4-[[2-[(dimethylamino)methyl]pyrrolidin-1-yl]methyl]-1,3-thiazole-2-carbohydrazide
CID 63573567
4-[(4-hydroxy-4-methylpiperidin-1-yl)methyl]-1,3-thiazole-2-carbohydrazide
CID 81116115

Frequently Asked Questions

What is the IUPAC name of 1-[[2-(hydrazinecarbonyl)-1,3-thiazol-4-yl]methyl]-N-methylpiperidine-3-carboxamide?
The IUPAC name of 1-[[2-(hydrazinecarbonyl)-1,3-thiazol-4-yl]methyl]-N-methylpiperidine-3-carboxamide (CID 103198388) is 1-[[2-(hydrazinecarbonyl)-1,3-thiazol-4-yl]methyl]-N-methylpiperidine-3-carboxamide.
What is the SMILES notation for 1-[[2-(hydrazinecarbonyl)-1,3-thiazol-4-yl]methyl]-N-methylpiperidine-3-carboxamide?
The canonical SMILES for 1-[[2-(hydrazinecarbonyl)-1,3-thiazol-4-yl]methyl]-N-methylpiperidine-3-carboxamide is CNC(=O)C1CCCN(Cc2csc(C(=O)NN)n2)C1.
What is the InChIKey of 1-[[2-(hydrazinecarbonyl)-1,3-thiazol-4-yl]methyl]-N-methylpiperidine-3-carboxamide?
The InChIKey is DNZMDUTWKDKMGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N5O2S/c1-14-10(18)8-3-2-4-17(5-8)6-9-7-20-12(15-9)11(19)16-13/h7-8H,2-6,13H2,1H3,(H,14,18)(H,16,19).
What are the key properties of 1-[[2-(hydrazinecarbonyl)-1,3-thiazol-4-yl]methyl]-N-methylpiperidine-3-carboxamide?
1-[[2-(hydrazinecarbonyl)-1,3-thiazol-4-yl]methyl]-N-methylpiperidine-3-carboxamide has a molecular weight of 297.38 g/mol, XLogP of -0.30, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-(hydrazinecarbonyl)-1,3-thiazol-4-yl]methyl]-N-methylpiperidine-3-carboxamide is sourced from PubChem (CID 103198388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).