2-[(4-chlorophenyl)methyl]-4-propyl-1,3-thiazole-5-carbohydrazide

C14H16ClN3OS — CID 82431516

IUPAC2-[(4-chlorophenyl)methyl]-4-propyl-1,3-thiazole-5-carbohydrazide
SMILESCCCc1nc(Cc2ccc(Cl)cc2)sc1C(=O)NN
InChIInChI=1S/C14H16ClN3OS/c1-2-3-11-13(14(19)18-16)20-12(17-11)8-9-4-6-10(15)7-5-9/h4-7H,2-3,8,16H2,1H3,(H,18,19)
InChIKeyKXVNBXZTQSFWTQ-UHFFFAOYSA-N
MW309.82 g/mol
LogP2.94
Rot. Bonds5

About 2-[(4-chlorophenyl)methyl]-4-propyl-1,3-thiazole-5-carbohydrazide

2-[(4-chlorophenyl)methyl]-4-propyl-1,3-thiazole-5-carbohydrazide (PubChem CID 82431516) has the molecular formula C14H16ClN3OS and a molecular weight of 309.82 g/mol. Its IUPAC name is 2-[(4-chlorophenyl)methyl]-4-propyl-1,3-thiazole-5-carbohydrazide.

Molecular Properties

Compound Name2-[(4-chlorophenyl)methyl]-4-propyl-1,3-thiazole-5-carbohydrazide
PubChem CID82431516
Molecular FormulaC14H16ClN3OS
Molecular Weight309.82 g/mol
Exact Mass309.07
IUPAC Name2-[(4-chlorophenyl)methyl]-4-propyl-1,3-thiazole-5-carbohydrazide
SMILESCCCc1nc(Cc2ccc(Cl)cc2)sc1C(=O)NN
InChIInChI=1S/C14H16ClN3OS/c1-2-3-11-13(14(19)18-16)20-12(17-11)8-9-4-6-10(15)7-5-9/h4-7H,2-3,8,16H2,1H3,(H,18,19)
InChIKeyKXVNBXZTQSFWTQ-UHFFFAOYSA-N
XLogP2.94
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.82
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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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Frequently Asked Questions

What is the IUPAC name of 2-[(4-chlorophenyl)methyl]-4-propyl-1,3-thiazole-5-carbohydrazide?
The IUPAC name of 2-[(4-chlorophenyl)methyl]-4-propyl-1,3-thiazole-5-carbohydrazide (CID 82431516) is 2-[(4-chlorophenyl)methyl]-4-propyl-1,3-thiazole-5-carbohydrazide.
What is the SMILES notation for 2-[(4-chlorophenyl)methyl]-4-propyl-1,3-thiazole-5-carbohydrazide?
The canonical SMILES for 2-[(4-chlorophenyl)methyl]-4-propyl-1,3-thiazole-5-carbohydrazide is CCCc1nc(Cc2ccc(Cl)cc2)sc1C(=O)NN.
What is the InChIKey of 2-[(4-chlorophenyl)methyl]-4-propyl-1,3-thiazole-5-carbohydrazide?
The InChIKey is KXVNBXZTQSFWTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClN3OS/c1-2-3-11-13(14(19)18-16)20-12(17-11)8-9-4-6-10(15)7-5-9/h4-7H,2-3,8,16H2,1H3,(H,18,19).
What are the key properties of 2-[(4-chlorophenyl)methyl]-4-propyl-1,3-thiazole-5-carbohydrazide?
2-[(4-chlorophenyl)methyl]-4-propyl-1,3-thiazole-5-carbohydrazide has a molecular weight of 309.82 g/mol, XLogP of 2.94, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-chlorophenyl)methyl]-4-propyl-1,3-thiazole-5-carbohydrazide is sourced from PubChem (CID 82431516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).