1,3-thiazole-4-carbohydrazide;hydrochloride

C4H6ClN3OS — CID 146013643

IUPAC1,3-thiazole-4-carbohydrazide;hydrochloride
SMILESCl.NNC(=O)c1cscn1
InChIInChI=1S/C4H5N3OS.ClH/c5-7-4(8)3-1-9-2-6-3;/h1-2H,5H2,(H,7,8);1H
InChIKeyLHAYAKZVXDYYLA-UHFFFAOYSA-N
MW179.63 g/mol
LogP0.17
Rot. Bonds1

About 1,3-thiazole-4-carbohydrazide;hydrochloride

1,3-thiazole-4-carbohydrazide;hydrochloride (PubChem CID 146013643) has the molecular formula C4H6ClN3OS and a molecular weight of 179.63 g/mol. Its IUPAC name is 1,3-thiazole-4-carbohydrazide;hydrochloride.

Molecular Properties

Compound Name1,3-thiazole-4-carbohydrazide;hydrochloride
PubChem CID146013643
Molecular FormulaC4H6ClN3OS
Molecular Weight179.63 g/mol
Exact Mass178.99
IUPAC Name1,3-thiazole-4-carbohydrazide;hydrochloride
SMILESCl.NNC(=O)c1cscn1
InChIInChI=1S/C4H5N3OS.ClH/c5-7-4(8)3-1-9-2-6-3;/h1-2H,5H2,(H,7,8);1H
InChIKeyLHAYAKZVXDYYLA-UHFFFAOYSA-N
XLogP0.17
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.63
LogP ≤ 50.17
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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Related Compounds

N-methyl-1,3-thiazole-4-carboxamide;dihydrochloride
CID 175705206
N-(1-amino-3-methylbutan-2-yl)-1,3-thiazole-4-carboxamide
CID 65193010
N-(2-amino-2-oxoethoxy)-1,3-thiazole-4-carboxamide
CID 112550667
2-(1,3-thiazole-4-carbonylamino)oxyacetic acid
CID 63913381
N-prop-2-enyl-1,3-thiazole-4-carboxamide
CID 63038406
N-(trifluoromethyl)-1,3-thiazole-4-carboxamide
CID 154068900
N-propan-2-yl-1,3-thiazole-4-carboxamide
CID 58337725
2-(1,3-thiazole-4-carbonylamino)ethyl carbamate
CID 83205186
N-(2,2,2-trifluoroethoxy)-1,3-thiazole-4-carboxamide
CID 81343248
N-[3-hydroxy-2-(hydroxymethyl)propyl]-1,3-thiazole-4-carboxamide
CID 143320313
N'-ethyl-N'-methyl-1,3-thiazole-4-carbohydrazide
CID 130734598
N-(3-amino-3-hydroxyiminopropyl)-1,3-thiazole-4-carboxamide
CID 76982242

Frequently Asked Questions

What is the IUPAC name of 1,3-thiazole-4-carbohydrazide;hydrochloride?
The IUPAC name of 1,3-thiazole-4-carbohydrazide;hydrochloride (CID 146013643) is 1,3-thiazole-4-carbohydrazide;hydrochloride.
What is the SMILES notation for 1,3-thiazole-4-carbohydrazide;hydrochloride?
The canonical SMILES for 1,3-thiazole-4-carbohydrazide;hydrochloride is Cl.NNC(=O)c1cscn1.
What is the InChIKey of 1,3-thiazole-4-carbohydrazide;hydrochloride?
The InChIKey is LHAYAKZVXDYYLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H5N3OS.ClH/c5-7-4(8)3-1-9-2-6-3;/h1-2H,5H2,(H,7,8);1H.
What are the key properties of 1,3-thiazole-4-carbohydrazide;hydrochloride?
1,3-thiazole-4-carbohydrazide;hydrochloride has a molecular weight of 179.63 g/mol, XLogP of 0.17, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-thiazole-4-carbohydrazide;hydrochloride is sourced from PubChem (CID 146013643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).