N'-[2-[(4-phenyl-1,3-thiazol-2-yl)sulfanyl]acetyl]thiophene-2-carbohydrazide

C16H13N3O2S3 — CID 2563953

IUPACN'-[2-[(4-phenyl-1,3-thiazol-2-yl)sulfanyl]acetyl]thiophene-2-carbohydrazide
SMILESO=C(CSc1nc(-c2ccccc2)cs1)NNC(=O)c1cccs1
InChIInChI=1S/C16H13N3O2S3/c20-14(18-19-15(21)13-7-4-8-22-13)10-24-16-17-12(9-23-16)11-5-2-1-3-6-11/h1-9H,10H2,(H,18,20)(H,19,21)
InChIKeyDIWKAZDXDITDDL-UHFFFAOYSA-N
MW375.50 g/mol
LogP3.42
Rot. Bonds5

About N'-[2-[(4-phenyl-1,3-thiazol-2-yl)sulfanyl]acetyl]thiophene-2-carbohydrazide

N'-[2-[(4-phenyl-1,3-thiazol-2-yl)sulfanyl]acetyl]thiophene-2-carbohydrazide (PubChem CID 2563953) has the molecular formula C16H13N3O2S3 and a molecular weight of 375.50 g/mol. Its IUPAC name is N'-[2-[(4-phenyl-1,3-thiazol-2-yl)sulfanyl]acetyl]thiophene-2-carbohydrazide.

Molecular Properties

Compound NameN'-[2-[(4-phenyl-1,3-thiazol-2-yl)sulfanyl]acetyl]thiophene-2-carbohydrazide
PubChem CID2563953
Molecular FormulaC16H13N3O2S3
Molecular Weight375.50 g/mol
Exact Mass375.02
IUPAC NameN'-[2-[(4-phenyl-1,3-thiazol-2-yl)sulfanyl]acetyl]thiophene-2-carbohydrazide
SMILESO=C(CSc1nc(-c2ccccc2)cs1)NNC(=O)c1cccs1
InChIInChI=1S/C16H13N3O2S3/c20-14(18-19-15(21)13-7-4-8-22-13)10-24-16-17-12(9-23-16)11-5-2-1-3-6-11/h1-9H,10H2,(H,18,20)(H,19,21)
InChIKeyDIWKAZDXDITDDL-UHFFFAOYSA-N
XLogP3.42
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.50
LogP ≤ 53.42
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

2-[(4-phenyl-1,3-thiazol-2-yl)sulfanyl]-N-(2-thiophen-2-ylethyl)acetamide
CID 8955996
N-(2-hydroxyphenyl)-2-[(4-phenyl-1,3-thiazol-2-yl)sulfanyl]acetamide
CID 3678775
N-(methylcarbamoyl)-2-[(4-phenyl-1,3-thiazol-2-yl)sulfanyl]acetamide
CID 3959134
N-(2-ethylphenyl)-2-[(4-phenyl-1,3-thiazol-2-yl)sulfanyl]acetamide
CID 3543552
N'-[2-(3-methyl-4-oxoquinazolin-2-yl)sulfanylacetyl]thiophene-2-carbohydrazide
CID 5199833
N'-[2-[(5-pyridin-3-yl-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]thiophene-2-carbohydrazide
CID 5297912
ethyl 5-acetyl-4-methyl-2-[[2-[(4-phenyl-1,3-thiazol-2-yl)sulfanyl]acetyl]amino]thiophene-3-carboxylate
CID 2574257
N-(furan-2-ylmethyl)-2-[(4-phenyl-1,3-thiazol-2-yl)sulfanyl]acetamide
CID 1263321
N-(1-methoxypropan-2-yl)-2-[(4-phenyl-1,3-thiazol-2-yl)sulfanyl]acetamide
CID 18079402
N-(5-phenyl-1,3,4-oxadiazol-2-yl)-2-[(4-phenyl-1,3-thiazol-2-yl)sulfanyl]acetamide
CID 7837089
1-N',4-N'-bis(thiophene-2-carbonyl)butanedihydrazide
CID 3715888
N'-(3-phenylsulfanylpropanoyl)thiophene-2-carbohydrazide
CID 9479389

Frequently Asked Questions

What is the IUPAC name of N'-[2-[(4-phenyl-1,3-thiazol-2-yl)sulfanyl]acetyl]thiophene-2-carbohydrazide?
The IUPAC name of N'-[2-[(4-phenyl-1,3-thiazol-2-yl)sulfanyl]acetyl]thiophene-2-carbohydrazide (CID 2563953) is N'-[2-[(4-phenyl-1,3-thiazol-2-yl)sulfanyl]acetyl]thiophene-2-carbohydrazide.
What is the SMILES notation for N'-[2-[(4-phenyl-1,3-thiazol-2-yl)sulfanyl]acetyl]thiophene-2-carbohydrazide?
The canonical SMILES for N'-[2-[(4-phenyl-1,3-thiazol-2-yl)sulfanyl]acetyl]thiophene-2-carbohydrazide is O=C(CSc1nc(-c2ccccc2)cs1)NNC(=O)c1cccs1.
What is the InChIKey of N'-[2-[(4-phenyl-1,3-thiazol-2-yl)sulfanyl]acetyl]thiophene-2-carbohydrazide?
The InChIKey is DIWKAZDXDITDDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N3O2S3/c20-14(18-19-15(21)13-7-4-8-22-13)10-24-16-17-12(9-23-16)11-5-2-1-3-6-11/h1-9H,10H2,(H,18,20)(H,19,21).
What are the key properties of N'-[2-[(4-phenyl-1,3-thiazol-2-yl)sulfanyl]acetyl]thiophene-2-carbohydrazide?
N'-[2-[(4-phenyl-1,3-thiazol-2-yl)sulfanyl]acetyl]thiophene-2-carbohydrazide has a molecular weight of 375.50 g/mol, XLogP of 3.42, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-[(4-phenyl-1,3-thiazol-2-yl)sulfanyl]acetyl]thiophene-2-carbohydrazide is sourced from PubChem (CID 2563953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).