N'-[2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]-4-chlorobenzohydrazide

C11H10ClN5O2S2 — CID 7760211

IUPACN'-[2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]-4-chlorobenzohydrazide
SMILESNc1nnc(SCC(=O)NNC(=O)c2ccc(Cl)cc2)s1
InChIInChI=1S/C11H10ClN5O2S2/c12-7-3-1-6(2-4-7)9(19)15-14-8(18)5-20-11-17-16-10(13)21-11/h1-4H,5H2,(H2,13,16)(H,14,18)(H,15,19)
InChIKeyAACHCSYYXJNHNJ-UHFFFAOYSA-N
MW343.82 g/mol
LogP1.33
Rot. Bonds4

About N'-[2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]-4-chlorobenzohydrazide

N'-[2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]-4-chlorobenzohydrazide (PubChem CID 7760211) has the molecular formula C11H10ClN5O2S2 and a molecular weight of 343.82 g/mol. Its IUPAC name is N'-[2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]-4-chlorobenzohydrazide.

Molecular Properties

Compound NameN'-[2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]-4-chlorobenzohydrazide
PubChem CID7760211
Molecular FormulaC11H10ClN5O2S2
Molecular Weight343.82 g/mol
Exact Mass343.00
IUPAC NameN'-[2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]-4-chlorobenzohydrazide
SMILESNc1nnc(SCC(=O)NNC(=O)c2ccc(Cl)cc2)s1
InChIInChI=1S/C11H10ClN5O2S2/c12-7-3-1-6(2-4-7)9(19)15-14-8(18)5-20-11-17-16-10(13)21-11/h1-4H,5H2,(H2,13,16)(H,14,18)(H,15,19)
InChIKeyAACHCSYYXJNHNJ-UHFFFAOYSA-N
XLogP1.33
TPSA110.00 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.82
LogP ≤ 51.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

N'-[2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]-2-fluorobenzohydrazide
CID 9104181
N'-[(4-chlorophenyl)carbonyl]-2-[(1-methyl-1H-tetraazol-5-yl)sulfanyl]acetohydrazide
CID 864615
N'-[2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]benzohydrazide
CID 2706587
N'-[2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]propanoyl]-3-chlorobenzohydrazide
CID 16310121
4-Chloro-benzoic acid N'-[2-(5-methyl-[1,3,4]thiadiazol-2-ylsulfanyl)-acetyl]-hydrazide
CID 926616
N'-[2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]-4-fluorobenzohydrazide
CID 2109156
N-[(E)-[allylsulfanyl(amino)methylene]amino]-4-chloro-benzamide
CID 11820948
4-chloro-N-(4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)benzamide
CID 1425242
4-chloro-N-[5-(ethylsulfanyl)-1,3,4-thiadiazol-2-yl]benzamide
CID 830909
3-[(5-Amino-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-4-fluorobenzohydrazide
CID 107459152
N'-[2-[[5-(benzylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetyl]-4-chlorobenzohydrazide
CID 2080590
N-[5-(2-amino-2-oxoethyl)sulfanyl-1,3,4-thiadiazol-2-yl]-4-chlorobenzamide
CID 7191001

Frequently Asked Questions

What is the IUPAC name of N'-[2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]-4-chlorobenzohydrazide?
The IUPAC name of N'-[2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]-4-chlorobenzohydrazide (CID 7760211) is N'-[2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]-4-chlorobenzohydrazide.
What is the SMILES notation for N'-[2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]-4-chlorobenzohydrazide?
The canonical SMILES for N'-[2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]-4-chlorobenzohydrazide is Nc1nnc(SCC(=O)NNC(=O)c2ccc(Cl)cc2)s1.
What is the InChIKey of N'-[2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]-4-chlorobenzohydrazide?
The InChIKey is AACHCSYYXJNHNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClN5O2S2/c12-7-3-1-6(2-4-7)9(19)15-14-8(18)5-20-11-17-16-10(13)21-11/h1-4H,5H2,(H2,13,16)(H,14,18)(H,15,19).
What are the key properties of N'-[2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]-4-chlorobenzohydrazide?
N'-[2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]-4-chlorobenzohydrazide has a molecular weight of 343.82 g/mol, XLogP of 1.33, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]-4-chlorobenzohydrazide is sourced from PubChem (CID 7760211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).