N'-(1,3-thiazole-5-carbonyl)-1,3-thiazole-5-carbohydrazide

C8H6N4O2S2 — CID 139226744

IUPACN'-(1,3-thiazole-5-carbonyl)-1,3-thiazole-5-carbohydrazide
SMILESO=C(NNC(=O)c1cncs1)c1cncs1
InChIInChI=1S/C8H6N4O2S2/c13-7(5-1-9-3-15-5)11-12-8(14)6-2-10-4-16-6/h1-4H,(H,11,13)(H,12,14)
InChIKeyNNNHOWCYYLIQOT-UHFFFAOYSA-N
MW254.30 g/mol
LogP0.67
Rot. Bonds2

About N'-(1,3-thiazole-5-carbonyl)-1,3-thiazole-5-carbohydrazide

N'-(1,3-thiazole-5-carbonyl)-1,3-thiazole-5-carbohydrazide (PubChem CID 139226744) has the molecular formula C8H6N4O2S2 and a molecular weight of 254.30 g/mol. Its IUPAC name is N'-(1,3-thiazole-5-carbonyl)-1,3-thiazole-5-carbohydrazide.

Molecular Properties

Compound NameN'-(1,3-thiazole-5-carbonyl)-1,3-thiazole-5-carbohydrazide
PubChem CID139226744
Molecular FormulaC8H6N4O2S2
Molecular Weight254.30 g/mol
Exact Mass253.99
IUPAC NameN'-(1,3-thiazole-5-carbonyl)-1,3-thiazole-5-carbohydrazide
SMILESO=C(NNC(=O)c1cncs1)c1cncs1
InChIInChI=1S/C8H6N4O2S2/c13-7(5-1-9-3-15-5)11-12-8(14)6-2-10-4-16-6/h1-4H,(H,11,13)(H,12,14)
InChIKeyNNNHOWCYYLIQOT-UHFFFAOYSA-N
XLogP0.67
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.30
LogP ≤ 50.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

(1,3-thiazole-5-carbonylamino)carbamic acid
CID 123379520
N-propan-2-yl-1,3-thiazole-5-carboxamide
CID 23525711
N-(2-aminoethyl)-1,3-thiazole-5-carboxamide
CID 83617604
N-(2-methylpropyl)-1,3-thiazole-5-carboxamide
CID 110848299
N-(2-amino-2-oxoethoxy)-1,3-thiazole-5-carboxamide
CID 103901233
N-(4-fluorophenyl)-1,3-thiazole-5-carboxamide
CID 5299224
N-butan-2-yl-1,3-thiazole-5-carboxamide
CID 110848421
1-methyl-1-(1,3-thiazole-5-carbonylamino)urea
CID 130710603
N-(1,3-thiazol-2-yl)-1,3-thiazole-5-carboxamide
CID 130841000
N-(4-hydroxybutyl)-1,3-thiazole-5-carboxamide
CID 107168303
1-(1,3-thiazole-5-carbonylamino)cyclopropane-1-carboxylic acid
CID 59496322
1,3-thiazole-5-carboxamide;hydrobromide
CID 164945589

Frequently Asked Questions

What is the IUPAC name of N'-(1,3-thiazole-5-carbonyl)-1,3-thiazole-5-carbohydrazide?
The IUPAC name of N'-(1,3-thiazole-5-carbonyl)-1,3-thiazole-5-carbohydrazide (CID 139226744) is N'-(1,3-thiazole-5-carbonyl)-1,3-thiazole-5-carbohydrazide.
What is the SMILES notation for N'-(1,3-thiazole-5-carbonyl)-1,3-thiazole-5-carbohydrazide?
The canonical SMILES for N'-(1,3-thiazole-5-carbonyl)-1,3-thiazole-5-carbohydrazide is O=C(NNC(=O)c1cncs1)c1cncs1.
What is the InChIKey of N'-(1,3-thiazole-5-carbonyl)-1,3-thiazole-5-carbohydrazide?
The InChIKey is NNNHOWCYYLIQOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6N4O2S2/c13-7(5-1-9-3-15-5)11-12-8(14)6-2-10-4-16-6/h1-4H,(H,11,13)(H,12,14).
What are the key properties of N'-(1,3-thiazole-5-carbonyl)-1,3-thiazole-5-carbohydrazide?
N'-(1,3-thiazole-5-carbonyl)-1,3-thiazole-5-carbohydrazide has a molecular weight of 254.30 g/mol, XLogP of 0.67, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(1,3-thiazole-5-carbonyl)-1,3-thiazole-5-carbohydrazide is sourced from PubChem (CID 139226744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).