N'-[2-[(2-amino-1,3-thiazol-5-yl)sulfanyl]acetyl]benzohydrazide

C12H12N4O2S2 — CID 43249743

IUPACN'-[2-[(2-amino-1,3-thiazol-5-yl)sulfanyl]acetyl]benzohydrazide
SMILESNc1ncc(SCC(=O)NNC(=O)c2ccccc2)s1
InChIInChI=1S/C12H12N4O2S2/c13-12-14-6-10(20-12)19-7-9(17)15-16-11(18)8-4-2-1-3-5-8/h1-6H,7H2,(H2,13,14)(H,15,17)(H,16,18)
InChIKeyQHTPFLSRNIFFAB-UHFFFAOYSA-N
MW308.39 g/mol
LogP1.28
Rot. Bonds4

About N'-[2-[(2-amino-1,3-thiazol-5-yl)sulfanyl]acetyl]benzohydrazide

N'-[2-[(2-amino-1,3-thiazol-5-yl)sulfanyl]acetyl]benzohydrazide (PubChem CID 43249743) has the molecular formula C12H12N4O2S2 and a molecular weight of 308.39 g/mol. Its IUPAC name is N'-[2-[(2-amino-1,3-thiazol-5-yl)sulfanyl]acetyl]benzohydrazide.

Molecular Properties

Compound NameN'-[2-[(2-amino-1,3-thiazol-5-yl)sulfanyl]acetyl]benzohydrazide
PubChem CID43249743
Molecular FormulaC12H12N4O2S2
Molecular Weight308.39 g/mol
Exact Mass308.04
IUPAC NameN'-[2-[(2-amino-1,3-thiazol-5-yl)sulfanyl]acetyl]benzohydrazide
SMILESNc1ncc(SCC(=O)NNC(=O)c2ccccc2)s1
InChIInChI=1S/C12H12N4O2S2/c13-12-14-6-10(20-12)19-7-9(17)15-16-11(18)8-4-2-1-3-5-8/h1-6H,7H2,(H2,13,14)(H,15,17)(H,16,18)
InChIKeyQHTPFLSRNIFFAB-UHFFFAOYSA-N
XLogP1.28
TPSA97.11 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.39
LogP ≤ 51.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N'-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]benzohydrazide
CID 672788
2-[(2-amino-1,3-thiazol-5-yl)sulfanyl]-N-(4-bromophenyl)acetamide
CID 24706271
2-[(2-amino-1,3-thiazol-5-yl)sulfanyl]-N-(3-methylphenyl)acetamide
CID 24701812
2-[(2-amino-1,3-thiazol-5-yl)sulfanyl]-N-methyl-N-(1-phenylethyl)acetamide
CID 43249826
2-[(2-amino-1,3-thiazol-5-yl)sulfanyl]-N-(3,4-difluorophenyl)acetamide
CID 43250054
2-[(2-amino-1,3-thiazol-5-yl)sulfanyl]-N-(4-propylphenyl)acetamide
CID 43249738
N'-[2-[(4-amino-5-methyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]benzohydrazide
CID 7845119
2-[(2-amino-1,3-thiazol-5-yl)sulfanyl]-N-(4-bromo-2-chlorophenyl)acetamide
CID 43249969
N'-[2-[1-(4-propan-2-ylphenyl)imidazol-2-yl]sulfanylacetyl]benzohydrazide
CID 51431650
N'-[2-(2,3-dihydroxypropylsulfanyl)acetyl]benzohydrazide
CID 79682230
N'-[2-(3,4-dimethylphenyl)sulfanylacetyl]benzohydrazide
CID 2708508
5-(2-chloroprop-2-enylsulfanyl)-1,3-thiazol-2-amine
CID 24706082

Frequently Asked Questions

What is the IUPAC name of N'-[2-[(2-amino-1,3-thiazol-5-yl)sulfanyl]acetyl]benzohydrazide?
The IUPAC name of N'-[2-[(2-amino-1,3-thiazol-5-yl)sulfanyl]acetyl]benzohydrazide (CID 43249743) is N'-[2-[(2-amino-1,3-thiazol-5-yl)sulfanyl]acetyl]benzohydrazide.
What is the SMILES notation for N'-[2-[(2-amino-1,3-thiazol-5-yl)sulfanyl]acetyl]benzohydrazide?
The canonical SMILES for N'-[2-[(2-amino-1,3-thiazol-5-yl)sulfanyl]acetyl]benzohydrazide is Nc1ncc(SCC(=O)NNC(=O)c2ccccc2)s1.
What is the InChIKey of N'-[2-[(2-amino-1,3-thiazol-5-yl)sulfanyl]acetyl]benzohydrazide?
The InChIKey is QHTPFLSRNIFFAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N4O2S2/c13-12-14-6-10(20-12)19-7-9(17)15-16-11(18)8-4-2-1-3-5-8/h1-6H,7H2,(H2,13,14)(H,15,17)(H,16,18).
What are the key properties of N'-[2-[(2-amino-1,3-thiazol-5-yl)sulfanyl]acetyl]benzohydrazide?
N'-[2-[(2-amino-1,3-thiazol-5-yl)sulfanyl]acetyl]benzohydrazide has a molecular weight of 308.39 g/mol, XLogP of 1.28, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-[(2-amino-1,3-thiazol-5-yl)sulfanyl]acetyl]benzohydrazide is sourced from PubChem (CID 43249743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).