4-[(3-chloro-4-fluorophenyl)sulfanylmethyl]-1,3-thiazole-2-carbohydrazide

C11H9ClFN3OS2 — CID 63581953

IUPAC4-[(3-chloro-4-fluorophenyl)sulfanylmethyl]-1,3-thiazole-2-carbohydrazide
SMILESNNC(=O)c1nc(CSc2ccc(F)c(Cl)c2)cs1
InChIInChI=1S/C11H9ClFN3OS2/c12-8-3-7(1-2-9(8)13)18-4-6-5-19-11(15-6)10(17)16-14/h1-3,5H,4,14H2,(H,16,17)
InChIKeyKMXVPGQSNMANRW-UHFFFAOYSA-N
MW317.80 g/mol
LogP2.83
Rot. Bonds4

About 4-[(3-chloro-4-fluorophenyl)sulfanylmethyl]-1,3-thiazole-2-carbohydrazide

4-[(3-chloro-4-fluorophenyl)sulfanylmethyl]-1,3-thiazole-2-carbohydrazide (PubChem CID 63581953) has the molecular formula C11H9ClFN3OS2 and a molecular weight of 317.80 g/mol. Its IUPAC name is 4-[(3-chloro-4-fluorophenyl)sulfanylmethyl]-1,3-thiazole-2-carbohydrazide.

Molecular Properties

Compound Name4-[(3-chloro-4-fluorophenyl)sulfanylmethyl]-1,3-thiazole-2-carbohydrazide
PubChem CID63581953
Molecular FormulaC11H9ClFN3OS2
Molecular Weight317.80 g/mol
Exact Mass316.99
IUPAC Name4-[(3-chloro-4-fluorophenyl)sulfanylmethyl]-1,3-thiazole-2-carbohydrazide
SMILESNNC(=O)c1nc(CSc2ccc(F)c(Cl)c2)cs1
InChIInChI=1S/C11H9ClFN3OS2/c12-8-3-7(1-2-9(8)13)18-4-6-5-19-11(15-6)10(17)16-14/h1-3,5H,4,14H2,(H,16,17)
InChIKeyKMXVPGQSNMANRW-UHFFFAOYSA-N
XLogP2.83
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.80
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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'}

Analyze 4-[(3-chloro-4-fluorophenyl)sulfanylmethyl]-1,3-thiazole-2-carbohydrazide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[(3-methylphenyl)sulfanylmethyl]-1,3-thiazole-2-carbohydrazide
CID 63579999
4-[(2-amino-6-chlorophenyl)sulfanylmethyl]-1,3-thiazole-2-carbohydrazide
CID 63582766
4-[(2-amino-5-methylphenyl)sulfanylmethyl]-1,3-thiazole-2-carbohydrazide
CID 79148538
4-[(3-chlorophenyl)sulfanylmethyl]-1,3-thiazole-2-carboxylic acid
CID 62645923
3-[(3-chloro-4-fluorophenyl)sulfanylmethyl]furan-2-carbohydrazide
CID 63581391
2-[(3-chloro-4-fluorophenyl)sulfanylmethyl]furan-3-carbohydrazide
CID 63581577
4-(pyridin-2-ylsulfanylmethyl)-1,3-thiazole-2-carbohydrazide
CID 63580249
4-(pyrimidin-4-ylsulfanylmethyl)-1,3-thiazole-2-carbohydrazide
CID 63696092
4-[(2,5-dichlorophenyl)sulfanylmethyl]-1,3-thiazole-2-carboxylic acid
CID 43664392
4-[(4-methylpyrimidin-2-yl)sulfanylmethyl]-1,3-thiazole-2-carbohydrazide
CID 63580507
4-(2,3-dihydroxypropylsulfanylmethyl)-1,3-thiazole-2-carbohydrazide
CID 79670600
4-[(2-amino-5-ethoxyphenyl)sulfanylmethyl]-1,3-thiazole-2-carbohydrazide
CID 79515830

Frequently Asked Questions

What is the IUPAC name of 4-[(3-chloro-4-fluorophenyl)sulfanylmethyl]-1,3-thiazole-2-carbohydrazide?
The IUPAC name of 4-[(3-chloro-4-fluorophenyl)sulfanylmethyl]-1,3-thiazole-2-carbohydrazide (CID 63581953) is 4-[(3-chloro-4-fluorophenyl)sulfanylmethyl]-1,3-thiazole-2-carbohydrazide.
What is the SMILES notation for 4-[(3-chloro-4-fluorophenyl)sulfanylmethyl]-1,3-thiazole-2-carbohydrazide?
The canonical SMILES for 4-[(3-chloro-4-fluorophenyl)sulfanylmethyl]-1,3-thiazole-2-carbohydrazide is NNC(=O)c1nc(CSc2ccc(F)c(Cl)c2)cs1.
What is the InChIKey of 4-[(3-chloro-4-fluorophenyl)sulfanylmethyl]-1,3-thiazole-2-carbohydrazide?
The InChIKey is KMXVPGQSNMANRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9ClFN3OS2/c12-8-3-7(1-2-9(8)13)18-4-6-5-19-11(15-6)10(17)16-14/h1-3,5H,4,14H2,(H,16,17).
What are the key properties of 4-[(3-chloro-4-fluorophenyl)sulfanylmethyl]-1,3-thiazole-2-carbohydrazide?
4-[(3-chloro-4-fluorophenyl)sulfanylmethyl]-1,3-thiazole-2-carbohydrazide has a molecular weight of 317.80 g/mol, XLogP of 2.83, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-chloro-4-fluorophenyl)sulfanylmethyl]-1,3-thiazole-2-carbohydrazide is sourced from PubChem (CID 63581953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).