4-[(2-amino-5-methylphenyl)sulfanylmethyl]-1,3-thiazole-2-carbohydrazide

C12H14N4OS2 — CID 79148538

IUPAC4-[(2-amino-5-methylphenyl)sulfanylmethyl]-1,3-thiazole-2-carbohydrazide
SMILESCc1ccc(N)c(SCc2csc(C(=O)NN)n2)c1
InChIInChI=1S/C12H14N4OS2/c1-7-2-3-9(13)10(4-7)18-5-8-6-19-12(15-8)11(17)16-14/h2-4,6H,5,13-14H2,1H3,(H,16,17)
InChIKeyUKRRQKORDSKKKT-UHFFFAOYSA-N
MW294.41 g/mol
LogP1.93
Rot. Bonds4

About 4-[(2-amino-5-methylphenyl)sulfanylmethyl]-1,3-thiazole-2-carbohydrazide

4-[(2-amino-5-methylphenyl)sulfanylmethyl]-1,3-thiazole-2-carbohydrazide (PubChem CID 79148538) has the molecular formula C12H14N4OS2 and a molecular weight of 294.41 g/mol. Its IUPAC name is 4-[(2-amino-5-methylphenyl)sulfanylmethyl]-1,3-thiazole-2-carbohydrazide.

Molecular Properties

Compound Name4-[(2-amino-5-methylphenyl)sulfanylmethyl]-1,3-thiazole-2-carbohydrazide
PubChem CID79148538
Molecular FormulaC12H14N4OS2
Molecular Weight294.41 g/mol
Exact Mass294.06
IUPAC Name4-[(2-amino-5-methylphenyl)sulfanylmethyl]-1,3-thiazole-2-carbohydrazide
SMILESCc1ccc(N)c(SCc2csc(C(=O)NN)n2)c1
InChIInChI=1S/C12H14N4OS2/c1-7-2-3-9(13)10(4-7)18-5-8-6-19-12(15-8)11(17)16-14/h2-4,6H,5,13-14H2,1H3,(H,16,17)
InChIKeyUKRRQKORDSKKKT-UHFFFAOYSA-N
XLogP1.93
TPSA94.03 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.41
LogP ≤ 51.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 4-[(2-amino-5-methylphenyl)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-[(2-amino-5-ethoxyphenyl)sulfanylmethyl]-1,3-thiazole-2-carbohydrazide
CID 79515830
4-[(3-methylphenyl)sulfanylmethyl]-1,3-thiazole-2-carbohydrazide
CID 63579999
4-[(4-methylpyrimidin-2-yl)sulfanylmethyl]-1,3-thiazole-2-carbohydrazide
CID 63580507
4-[(2-amino-6-chlorophenyl)sulfanylmethyl]-1,3-thiazole-2-carbohydrazide
CID 63582766
4-[(2-fluoro-5-methylphenoxy)methyl]-1,3-thiazole-2-carbohydrazide
CID 64854518
4-[(3-chloro-4-fluorophenyl)sulfanylmethyl]-1,3-thiazole-2-carbohydrazide
CID 63581953
4-(2,3-dihydroxypropylsulfanylmethyl)-1,3-thiazole-2-carbohydrazide
CID 79670600
4-(pyridin-2-ylsulfanylmethyl)-1,3-thiazole-2-carbohydrazide
CID 63580249
4-methyl-2-(1,3-thiazol-4-ylmethylsulfanyl)aniline
CID 79142963
4-(pyrimidin-4-ylsulfanylmethyl)-1,3-thiazole-2-carbohydrazide
CID 63696092
4-[(2-amino-2-methylpropyl)sulfanylmethyl]-1,3-thiazole-2-carbohydrazide
CID 66229682
4-[(1-methylimidazol-2-yl)sulfanylmethyl]-1,3-thiazole-2-carbohydrazide
CID 63580957

Frequently Asked Questions

What is the IUPAC name of 4-[(2-amino-5-methylphenyl)sulfanylmethyl]-1,3-thiazole-2-carbohydrazide?
The IUPAC name of 4-[(2-amino-5-methylphenyl)sulfanylmethyl]-1,3-thiazole-2-carbohydrazide (CID 79148538) is 4-[(2-amino-5-methylphenyl)sulfanylmethyl]-1,3-thiazole-2-carbohydrazide.
What is the SMILES notation for 4-[(2-amino-5-methylphenyl)sulfanylmethyl]-1,3-thiazole-2-carbohydrazide?
The canonical SMILES for 4-[(2-amino-5-methylphenyl)sulfanylmethyl]-1,3-thiazole-2-carbohydrazide is Cc1ccc(N)c(SCc2csc(C(=O)NN)n2)c1.
What is the InChIKey of 4-[(2-amino-5-methylphenyl)sulfanylmethyl]-1,3-thiazole-2-carbohydrazide?
The InChIKey is UKRRQKORDSKKKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4OS2/c1-7-2-3-9(13)10(4-7)18-5-8-6-19-12(15-8)11(17)16-14/h2-4,6H,5,13-14H2,1H3,(H,16,17).
What are the key properties of 4-[(2-amino-5-methylphenyl)sulfanylmethyl]-1,3-thiazole-2-carbohydrazide?
4-[(2-amino-5-methylphenyl)sulfanylmethyl]-1,3-thiazole-2-carbohydrazide has a molecular weight of 294.41 g/mol, XLogP of 1.93, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-amino-5-methylphenyl)sulfanylmethyl]-1,3-thiazole-2-carbohydrazide is sourced from PubChem (CID 79148538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).