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

C9H16N4OS2 — CID 66229682

IUPAC4-[(2-amino-2-methylpropyl)sulfanylmethyl]-1,3-thiazole-2-carbohydrazide
SMILESCC(C)(N)CSCc1csc(C(=O)NN)n1
InChIInChI=1S/C9H16N4OS2/c1-9(2,10)5-15-3-6-4-16-8(12-6)7(14)13-11/h4H,3,5,10-11H2,1-2H3,(H,13,14)
InChIKeyDJIXITXXPWWXMZ-UHFFFAOYSA-N
MW260.39 g/mol
LogP0.72
Rot. Bonds5

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

4-[(2-amino-2-methylpropyl)sulfanylmethyl]-1,3-thiazole-2-carbohydrazide (PubChem CID 66229682) has the molecular formula C9H16N4OS2 and a molecular weight of 260.39 g/mol. Its IUPAC name is 4-[(2-amino-2-methylpropyl)sulfanylmethyl]-1,3-thiazole-2-carbohydrazide.

Molecular Properties

Compound Name4-[(2-amino-2-methylpropyl)sulfanylmethyl]-1,3-thiazole-2-carbohydrazide
PubChem CID66229682
Molecular FormulaC9H16N4OS2
Molecular Weight260.39 g/mol
Exact Mass260.08
IUPAC Name4-[(2-amino-2-methylpropyl)sulfanylmethyl]-1,3-thiazole-2-carbohydrazide
SMILESCC(C)(N)CSCc1csc(C(=O)NN)n1
InChIInChI=1S/C9H16N4OS2/c1-9(2,10)5-15-3-6-4-16-8(12-6)7(14)13-11/h4H,3,5,10-11H2,1-2H3,(H,13,14)
InChIKeyDJIXITXXPWWXMZ-UHFFFAOYSA-N
XLogP0.72
TPSA94.03 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.39
LogP ≤ 50.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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-[(2-amino-2-methylpropyl)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-(2,3-dihydroxypropylsulfanylmethyl)-1,3-thiazole-2-carbohydrazide
CID 79670600
4-[(2-amino-2-methylpropyl)sulfanylmethyl]-1,3-thiazol-2-amine
CID 66228739
4-[(4-methylpyrimidin-2-yl)sulfanylmethyl]-1,3-thiazole-2-carbohydrazide
CID 63580507
4-[(3-methylphenyl)sulfanylmethyl]-1,3-thiazole-2-carbohydrazide
CID 63579999
4-[(1-methylimidazol-2-yl)sulfanylmethyl]-1,3-thiazole-2-carbohydrazide
CID 63580957
4-[(2-amino-5-methylphenyl)sulfanylmethyl]-1,3-thiazole-2-carbohydrazide
CID 79148538
4-(pyridin-2-ylsulfanylmethyl)-1,3-thiazole-2-carbohydrazide
CID 63580249
4-[[methyl(2,2,2-trifluoroethyl)amino]methyl]-1,3-thiazole-2-carbohydrazide
CID 63571833
4-(pyrimidin-4-ylsulfanylmethyl)-1,3-thiazole-2-carbohydrazide
CID 63696092
4-[(2,6-dimethylphenoxy)methyl]-1,3-thiazole-2-carbohydrazide
CID 55213006
4-[(2-oxopyrrolidin-1-yl)methyl]-1,3-thiazole-2-carbohydrazide
CID 63572610
4-[(2-amino-5-ethoxyphenyl)sulfanylmethyl]-1,3-thiazole-2-carbohydrazide
CID 79515830

Frequently Asked Questions

What is the IUPAC name of 4-[(2-amino-2-methylpropyl)sulfanylmethyl]-1,3-thiazole-2-carbohydrazide?
The IUPAC name of 4-[(2-amino-2-methylpropyl)sulfanylmethyl]-1,3-thiazole-2-carbohydrazide (CID 66229682) is 4-[(2-amino-2-methylpropyl)sulfanylmethyl]-1,3-thiazole-2-carbohydrazide.
What is the SMILES notation for 4-[(2-amino-2-methylpropyl)sulfanylmethyl]-1,3-thiazole-2-carbohydrazide?
The canonical SMILES for 4-[(2-amino-2-methylpropyl)sulfanylmethyl]-1,3-thiazole-2-carbohydrazide is CC(C)(N)CSCc1csc(C(=O)NN)n1.
What is the InChIKey of 4-[(2-amino-2-methylpropyl)sulfanylmethyl]-1,3-thiazole-2-carbohydrazide?
The InChIKey is DJIXITXXPWWXMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4OS2/c1-9(2,10)5-15-3-6-4-16-8(12-6)7(14)13-11/h4H,3,5,10-11H2,1-2H3,(H,13,14).
What are the key properties of 4-[(2-amino-2-methylpropyl)sulfanylmethyl]-1,3-thiazole-2-carbohydrazide?
4-[(2-amino-2-methylpropyl)sulfanylmethyl]-1,3-thiazole-2-carbohydrazide has a molecular weight of 260.39 g/mol, XLogP of 0.72, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-amino-2-methylpropyl)sulfanylmethyl]-1,3-thiazole-2-carbohydrazide is sourced from PubChem (CID 66229682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).