N'-(2-chlorobenzoyl)-2-methyl-1,3-thiazole-4-carbohydrazide

C12H10ClN3O2S — CID 47445159

IUPACN'-(2-chlorobenzoyl)-2-methyl-1,3-thiazole-4-carbohydrazide
SMILESCc1nc(C(=O)NNC(=O)c2ccccc2Cl)cs1
InChIInChI=1S/C12H10ClN3O2S/c1-7-14-10(6-19-7)12(18)16-15-11(17)8-4-2-3-5-9(8)13/h2-6H,1H3,(H,15,17)(H,16,18)
InChIKeyCIORSAMHZZRFKT-UHFFFAOYSA-N
MW295.75 g/mol
LogP2.18
Rot. Bonds2

About N'-(2-chlorobenzoyl)-2-methyl-1,3-thiazole-4-carbohydrazide

N'-(2-chlorobenzoyl)-2-methyl-1,3-thiazole-4-carbohydrazide (PubChem CID 47445159) has the molecular formula C12H10ClN3O2S and a molecular weight of 295.75 g/mol. Its IUPAC name is N'-(2-chlorobenzoyl)-2-methyl-1,3-thiazole-4-carbohydrazide.

Molecular Properties

Compound NameN'-(2-chlorobenzoyl)-2-methyl-1,3-thiazole-4-carbohydrazide
PubChem CID47445159
Molecular FormulaC12H10ClN3O2S
Molecular Weight295.75 g/mol
Exact Mass295.02
IUPAC NameN'-(2-chlorobenzoyl)-2-methyl-1,3-thiazole-4-carbohydrazide
SMILESCc1nc(C(=O)NNC(=O)c2ccccc2Cl)cs1
InChIInChI=1S/C12H10ClN3O2S/c1-7-14-10(6-19-7)12(18)16-15-11(17)8-4-2-3-5-9(8)13/h2-6H,1H3,(H,15,17)(H,16,18)
InChIKeyCIORSAMHZZRFKT-UHFFFAOYSA-N
XLogP2.18
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.75
LogP ≤ 52.18
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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Frequently Asked Questions

What is the IUPAC name of N'-(2-chlorobenzoyl)-2-methyl-1,3-thiazole-4-carbohydrazide?
The IUPAC name of N'-(2-chlorobenzoyl)-2-methyl-1,3-thiazole-4-carbohydrazide (CID 47445159) is N'-(2-chlorobenzoyl)-2-methyl-1,3-thiazole-4-carbohydrazide.
What is the SMILES notation for N'-(2-chlorobenzoyl)-2-methyl-1,3-thiazole-4-carbohydrazide?
The canonical SMILES for N'-(2-chlorobenzoyl)-2-methyl-1,3-thiazole-4-carbohydrazide is Cc1nc(C(=O)NNC(=O)c2ccccc2Cl)cs1.
What is the InChIKey of N'-(2-chlorobenzoyl)-2-methyl-1,3-thiazole-4-carbohydrazide?
The InChIKey is CIORSAMHZZRFKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10ClN3O2S/c1-7-14-10(6-19-7)12(18)16-15-11(17)8-4-2-3-5-9(8)13/h2-6H,1H3,(H,15,17)(H,16,18).
What are the key properties of N'-(2-chlorobenzoyl)-2-methyl-1,3-thiazole-4-carbohydrazide?
N'-(2-chlorobenzoyl)-2-methyl-1,3-thiazole-4-carbohydrazide has a molecular weight of 295.75 g/mol, XLogP of 2.18, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-chlorobenzoyl)-2-methyl-1,3-thiazole-4-carbohydrazide is sourced from PubChem (CID 47445159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).