2-(2-chlorophenyl)-N'-methyl-N'-phenyl-1,3-thiazole-5-carbohydrazide

C17H14ClN3OS — CID 51129260

IUPAC2-(2-chlorophenyl)-N'-methyl-N'-phenyl-1,3-thiazole-5-carbohydrazide
SMILESCN(NC(=O)c1cnc(-c2ccccc2Cl)s1)c1ccccc1
InChIInChI=1S/C17H14ClN3OS/c1-21(12-7-3-2-4-8-12)20-16(22)15-11-19-17(23-15)13-9-5-6-10-14(13)18/h2-11H,1H3,(H,20,22)
InChIKeyZDZKAQBXPVRDRU-UHFFFAOYSA-N
MW343.84 g/mol
LogP4.24
Rot. Bonds4

About 2-(2-chlorophenyl)-N'-methyl-N'-phenyl-1,3-thiazole-5-carbohydrazide

2-(2-chlorophenyl)-N'-methyl-N'-phenyl-1,3-thiazole-5-carbohydrazide (PubChem CID 51129260) has the molecular formula C17H14ClN3OS and a molecular weight of 343.84 g/mol. Its IUPAC name is 2-(2-chlorophenyl)-N'-methyl-N'-phenyl-1,3-thiazole-5-carbohydrazide.

Molecular Properties

Compound Name2-(2-chlorophenyl)-N'-methyl-N'-phenyl-1,3-thiazole-5-carbohydrazide
PubChem CID51129260
Molecular FormulaC17H14ClN3OS
Molecular Weight343.84 g/mol
Exact Mass343.05
IUPAC Name2-(2-chlorophenyl)-N'-methyl-N'-phenyl-1,3-thiazole-5-carbohydrazide
SMILESCN(NC(=O)c1cnc(-c2ccccc2Cl)s1)c1ccccc1
InChIInChI=1S/C17H14ClN3OS/c1-21(12-7-3-2-4-8-12)20-16(22)15-11-19-17(23-15)13-9-5-6-10-14(13)18/h2-11H,1H3,(H,20,22)
InChIKeyZDZKAQBXPVRDRU-UHFFFAOYSA-N
XLogP4.24
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.84
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-[2-(2-chlorophenyl)-1,3-thiazol-5-yl]ethanone
CID 1477653
N'-(2-chlorobenzoyl)-2-(2-chlorophenyl)-1,3-thiazole-5-carbohydrazide
CID 49371200
2-(2-chlorophenyl)-N-(2-methoxyethyl)-1,3-thiazole-5-carboxamide
CID 49371122
N-(3-carbamoyl-4-methylphenyl)-2-(2-chlorophenyl)-1,3-thiazole-5-carboxamide
CID 95172667
2-(2-chlorophenyl)-N-(3-oxo-3-pyrrolidin-1-ylpropyl)-1,3-thiazole-5-carboxamide
CID 49372790
N-[5-(2-chlorophenyl)-1,3,4-thiadiazol-2-yl]-2-methyl-1,3-thiazole-5-carboxamide
CID 122134190
2-(2-chlorophenyl)-N-[4-(1,2,4-triazol-1-yl)phenyl]-1,3-thiazole-5-carboxamide
CID 49322472
2-(2-chlorophenyl)-N-[2-(3-hydroxyphenyl)pyrimidin-5-yl]-1,3-thiazole-5-carboxamide
CID 56520770
(3R)-1-[2-(2-chlorophenyl)-1,3-thiazole-5-carbonyl]-3-methylpyrrolidine-3-carboxylic acid
CID 124695777
[2-(2-chlorophenyl)-1,3-thiazol-5-yl]-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)methanone
CID 100656442
(3S)-1-[2-(2-chlorophenyl)-1,3-thiazole-5-carbonyl]pyrrolidine-3-carboxylic acid
CID 124703630
2-(2-chlorophenyl)-N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]-1,3-thiazole-5-carboxamide
CID 49322069

Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)-N'-methyl-N'-phenyl-1,3-thiazole-5-carbohydrazide?
The IUPAC name of 2-(2-chlorophenyl)-N'-methyl-N'-phenyl-1,3-thiazole-5-carbohydrazide (CID 51129260) is 2-(2-chlorophenyl)-N'-methyl-N'-phenyl-1,3-thiazole-5-carbohydrazide.
What is the SMILES notation for 2-(2-chlorophenyl)-N'-methyl-N'-phenyl-1,3-thiazole-5-carbohydrazide?
The canonical SMILES for 2-(2-chlorophenyl)-N'-methyl-N'-phenyl-1,3-thiazole-5-carbohydrazide is CN(NC(=O)c1cnc(-c2ccccc2Cl)s1)c1ccccc1.
What is the InChIKey of 2-(2-chlorophenyl)-N'-methyl-N'-phenyl-1,3-thiazole-5-carbohydrazide?
The InChIKey is ZDZKAQBXPVRDRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClN3OS/c1-21(12-7-3-2-4-8-12)20-16(22)15-11-19-17(23-15)13-9-5-6-10-14(13)18/h2-11H,1H3,(H,20,22).
What are the key properties of 2-(2-chlorophenyl)-N'-methyl-N'-phenyl-1,3-thiazole-5-carbohydrazide?
2-(2-chlorophenyl)-N'-methyl-N'-phenyl-1,3-thiazole-5-carbohydrazide has a molecular weight of 343.84 g/mol, XLogP of 4.24, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenyl)-N'-methyl-N'-phenyl-1,3-thiazole-5-carbohydrazide is sourced from PubChem (CID 51129260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).