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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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).