N'-(2-methylpropanoyl)-2-thiophen-2-yl-1,3-thiazole-4-carbohydrazide

C12H13N3O2S2 — CID 2743955

IUPACN'-(2-methylpropanoyl)-2-thiophen-2-yl-1,3-thiazole-4-carbohydrazide
SMILESCC(C)C(=O)NNC(=O)c1csc(-c2cccs2)n1
InChIInChI=1S/C12H13N3O2S2/c1-7(2)10(16)14-15-11(17)8-6-19-12(13-8)9-4-3-5-18-9/h3-7H,1-2H3,(H,14,16)(H,15,17)
InChIKeyVDWBKGYVNCQQCN-UHFFFAOYSA-N
MW295.39 g/mol
LogP2.29
Rot. Bonds3

About N'-(2-methylpropanoyl)-2-thiophen-2-yl-1,3-thiazole-4-carbohydrazide

N'-(2-methylpropanoyl)-2-thiophen-2-yl-1,3-thiazole-4-carbohydrazide (PubChem CID 2743955) has the molecular formula C12H13N3O2S2 and a molecular weight of 295.39 g/mol. Its IUPAC name is N'-(2-methylpropanoyl)-2-thiophen-2-yl-1,3-thiazole-4-carbohydrazide.

Molecular Properties

Compound NameN'-(2-methylpropanoyl)-2-thiophen-2-yl-1,3-thiazole-4-carbohydrazide
PubChem CID2743955
Molecular FormulaC12H13N3O2S2
Molecular Weight295.39 g/mol
Exact Mass295.04
IUPAC NameN'-(2-methylpropanoyl)-2-thiophen-2-yl-1,3-thiazole-4-carbohydrazide
SMILESCC(C)C(=O)NNC(=O)c1csc(-c2cccs2)n1
InChIInChI=1S/C12H13N3O2S2/c1-7(2)10(16)14-15-11(17)8-6-19-12(13-8)9-4-3-5-18-9/h3-7H,1-2H3,(H,14,16)(H,15,17)
InChIKeyVDWBKGYVNCQQCN-UHFFFAOYSA-N
XLogP2.29
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.39
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-Phenyl-1,3-thiazole-4-carbohydrazide
CID 2740635
N-methyl-2-(thiophen-2-yl)-1,3-thiazole-4-carboxamide
CID 1473850
1-Methyl-3-[(2-thiophen-2-yl-1,3-thiazole-4-carbonyl)amino]thiourea
CID 2744110
5-Methylsulfanyl-4-(4-methyl-1,3-thiazol-2-yl)thiophene-2-carbohydrazide
CID 2820235
N-[2-(tert-butylamino)-2-oxoethyl]-N-ethyl-2-thiophen-2-yl-1,3-thiazole-4-carboxamide
CID 24473064
N-(2-amino-2-oxoethyl)-N-butyl-2-thiophen-2-yl-1,3-thiazole-4-carboxamide
CID 40163347
2-[4-(1,3-Dithiolan-2-yl)phenyl]-1,3-thiazole-4-carbohydrazide
CID 2744372
2-(2-Thienyl)-1,3-thiazole-4-carbohydrazide
CID 2743952
2-(2-Thiophen-2-yl-1,3-thiazol-4-yl)acetohydrazide
CID 2744084
N-[(1S)-1-cyclopropylethyl]-2-thiophen-2-yl-1,3-thiazole-4-carboxamide
CID 41088225
2-Thiophen-2-yl-1,3-thiazole-4-carboxamide
CID 28429836
N'-(4-fluorobenzoyl)-2-thiophen-3-yl-1,3-thiazole-4-carbohydrazide
CID 8870785

Frequently Asked Questions

What is the IUPAC name of N'-(2-methylpropanoyl)-2-thiophen-2-yl-1,3-thiazole-4-carbohydrazide?
The IUPAC name of N'-(2-methylpropanoyl)-2-thiophen-2-yl-1,3-thiazole-4-carbohydrazide (CID 2743955) is N'-(2-methylpropanoyl)-2-thiophen-2-yl-1,3-thiazole-4-carbohydrazide.
What is the SMILES notation for N'-(2-methylpropanoyl)-2-thiophen-2-yl-1,3-thiazole-4-carbohydrazide?
The canonical SMILES for N'-(2-methylpropanoyl)-2-thiophen-2-yl-1,3-thiazole-4-carbohydrazide is CC(C)C(=O)NNC(=O)c1csc(-c2cccs2)n1.
What is the InChIKey of N'-(2-methylpropanoyl)-2-thiophen-2-yl-1,3-thiazole-4-carbohydrazide?
The InChIKey is VDWBKGYVNCQQCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O2S2/c1-7(2)10(16)14-15-11(17)8-6-19-12(13-8)9-4-3-5-18-9/h3-7H,1-2H3,(H,14,16)(H,15,17).
What are the key properties of N'-(2-methylpropanoyl)-2-thiophen-2-yl-1,3-thiazole-4-carbohydrazide?
N'-(2-methylpropanoyl)-2-thiophen-2-yl-1,3-thiazole-4-carbohydrazide has a molecular weight of 295.39 g/mol, XLogP of 2.29, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-methylpropanoyl)-2-thiophen-2-yl-1,3-thiazole-4-carbohydrazide is sourced from PubChem (CID 2743955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).