4-chloro-N'-[2-[1-(thiophen-2-ylmethyl)tetrazol-5-yl]sulfanylacetyl]benzohydrazide

C15H13ClN6O2S2 — CID 46639713

IUPAC4-chloro-N'-[2-[1-(thiophen-2-ylmethyl)tetrazol-5-yl]sulfanylacetyl]benzohydrazide
SMILESO=C(CSc1nnnn1Cc1cccs1)NNC(=O)c1ccc(Cl)cc1
InChIInChI=1S/C15H13ClN6O2S2/c16-11-5-3-10(4-6-11)14(24)18-17-13(23)9-26-15-19-20-21-22(15)8-12-2-1-7-25-12/h1-7H,8-9H2,(H,17,23)(H,18,24)
InChIKeyRQJAVQNWYFQUJL-UHFFFAOYSA-N
MW408.90 g/mol
LogP1.99
Rot. Bonds6

About 4-chloro-N'-[2-[1-(thiophen-2-ylmethyl)tetrazol-5-yl]sulfanylacetyl]benzohydrazide

4-chloro-N'-[2-[1-(thiophen-2-ylmethyl)tetrazol-5-yl]sulfanylacetyl]benzohydrazide (PubChem CID 46639713) has the molecular formula C15H13ClN6O2S2 and a molecular weight of 408.90 g/mol. Its IUPAC name is 4-chloro-N'-[2-[1-(thiophen-2-ylmethyl)tetrazol-5-yl]sulfanylacetyl]benzohydrazide.

Molecular Properties

Compound Name4-chloro-N'-[2-[1-(thiophen-2-ylmethyl)tetrazol-5-yl]sulfanylacetyl]benzohydrazide
PubChem CID46639713
Molecular FormulaC15H13ClN6O2S2
Molecular Weight408.90 g/mol
Exact Mass408.02
IUPAC Name4-chloro-N'-[2-[1-(thiophen-2-ylmethyl)tetrazol-5-yl]sulfanylacetyl]benzohydrazide
SMILESO=C(CSc1nnnn1Cc1cccs1)NNC(=O)c1ccc(Cl)cc1
InChIInChI=1S/C15H13ClN6O2S2/c16-11-5-3-10(4-6-11)14(24)18-17-13(23)9-26-15-19-20-21-22(15)8-12-2-1-7-25-12/h1-7H,8-9H2,(H,17,23)(H,18,24)
InChIKeyRQJAVQNWYFQUJL-UHFFFAOYSA-N
XLogP1.99
TPSA101.80 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.90
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze 4-chloro-N'-[2-[1-(thiophen-2-ylmethyl)tetrazol-5-yl]sulfanylacetyl]benzohydrazide 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

N-(5-chloro-2-pyridinyl)-2-[1-(thiophen-2-ylmethyl)tetrazol-5-yl]sulfanylacetamide
CID 51244515
4-chloro-N'-[2-[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]sulfanylacetyl]benzohydrazide
CID 26387767
N-propan-2-yl-2-[1-(thiophen-2-ylmethyl)tetrazol-5-yl]sulfanylacetamide
CID 32711288
N-[(3-chlorophenyl)methyl]-2-[1-(thiophen-2-ylmethyl)tetrazol-5-yl]sulfanylacetamide
CID 51244560
N-[1-(2,4-dichlorophenyl)ethyl]-2-[1-(thiophen-2-ylmethyl)tetrazol-5-yl]sulfanylacetamide
CID 46639659
1-(4-chlorophenyl)-2-[1-(2-thiophen-2-ylethyl)tetrazol-5-yl]sulfanylethanone
CID 17394088
N-[4-[2-[1-(thiophen-2-ylmethyl)tetrazol-5-yl]sulfanylacetyl]phenyl]acetamide
CID 36987490
N-(propan-2-ylcarbamoyl)-2-[1-(thiophen-2-ylmethyl)tetrazol-5-yl]sulfanylacetamide
CID 36987439
2-[[2-[1-(thiophen-2-ylmethyl)tetrazol-5-yl]sulfanylacetyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide
CID 36987378
N-[(1S)-1-phenylethyl]-2-[[2-[1-(thiophen-2-ylmethyl)tetrazol-5-yl]sulfanylacetyl]amino]benzamide
CID 41201832
4-chloro-N'-[2-(1-cyclohexyltetrazol-5-yl)sulfanylacetyl]benzohydrazide
CID 27047554
4-chloro-N'-[2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetyl]benzohydrazide
CID 2082579

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N'-[2-[1-(thiophen-2-ylmethyl)tetrazol-5-yl]sulfanylacetyl]benzohydrazide?
The IUPAC name of 4-chloro-N'-[2-[1-(thiophen-2-ylmethyl)tetrazol-5-yl]sulfanylacetyl]benzohydrazide (CID 46639713) is 4-chloro-N'-[2-[1-(thiophen-2-ylmethyl)tetrazol-5-yl]sulfanylacetyl]benzohydrazide.
What is the SMILES notation for 4-chloro-N'-[2-[1-(thiophen-2-ylmethyl)tetrazol-5-yl]sulfanylacetyl]benzohydrazide?
The canonical SMILES for 4-chloro-N'-[2-[1-(thiophen-2-ylmethyl)tetrazol-5-yl]sulfanylacetyl]benzohydrazide is O=C(CSc1nnnn1Cc1cccs1)NNC(=O)c1ccc(Cl)cc1.
What is the InChIKey of 4-chloro-N'-[2-[1-(thiophen-2-ylmethyl)tetrazol-5-yl]sulfanylacetyl]benzohydrazide?
The InChIKey is RQJAVQNWYFQUJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClN6O2S2/c16-11-5-3-10(4-6-11)14(24)18-17-13(23)9-26-15-19-20-21-22(15)8-12-2-1-7-25-12/h1-7H,8-9H2,(H,17,23)(H,18,24).
What are the key properties of 4-chloro-N'-[2-[1-(thiophen-2-ylmethyl)tetrazol-5-yl]sulfanylacetyl]benzohydrazide?
4-chloro-N'-[2-[1-(thiophen-2-ylmethyl)tetrazol-5-yl]sulfanylacetyl]benzohydrazide has a molecular weight of 408.90 g/mol, XLogP of 1.99, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N'-[2-[1-(thiophen-2-ylmethyl)tetrazol-5-yl]sulfanylacetyl]benzohydrazide is sourced from PubChem (CID 46639713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).