N'-[2-[(5-pyridin-3-yl-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]thiophene-2-carbohydrazide

C14H11N5O2S3 — CID 5297912

IUPACN'-[2-[(5-pyridin-3-yl-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]thiophene-2-carbohydrazide
SMILESO=C(CSc1nnc(-c2cccnc2)s1)NNC(=O)c1cccs1
InChIInChI=1S/C14H11N5O2S3/c20-11(16-17-12(21)10-4-2-6-22-10)8-23-14-19-18-13(24-14)9-3-1-5-15-7-9/h1-7H,8H2,(H,16,20)(H,17,21)
InChIKeyMICGSXDUPVAYOB-UHFFFAOYSA-N
MW377.48 g/mol
LogP2.21
Rot. Bonds5

About N'-[2-[(5-pyridin-3-yl-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]thiophene-2-carbohydrazide

N'-[2-[(5-pyridin-3-yl-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]thiophene-2-carbohydrazide (PubChem CID 5297912) has the molecular formula C14H11N5O2S3 and a molecular weight of 377.48 g/mol. Its IUPAC name is N'-[2-[(5-pyridin-3-yl-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]thiophene-2-carbohydrazide.

Molecular Properties

Compound NameN'-[2-[(5-pyridin-3-yl-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]thiophene-2-carbohydrazide
PubChem CID5297912
Molecular FormulaC14H11N5O2S3
Molecular Weight377.48 g/mol
Exact Mass377.01
IUPAC NameN'-[2-[(5-pyridin-3-yl-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]thiophene-2-carbohydrazide
SMILESO=C(CSc1nnc(-c2cccnc2)s1)NNC(=O)c1cccs1
InChIInChI=1S/C14H11N5O2S3/c20-11(16-17-12(21)10-4-2-6-22-10)8-23-14-19-18-13(24-14)9-3-1-5-15-7-9/h1-7H,8H2,(H,16,20)(H,17,21)
InChIKeyMICGSXDUPVAYOB-UHFFFAOYSA-N
XLogP2.21
TPSA96.87 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.48
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

N'-[2-[[5-[(4-propan-2-ylphenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]sulfanyl]acetyl]thiophene-2-carbohydrazide
CID 16542559
N'-[2-[(4-phenyl-1,3-thiazol-2-yl)sulfanyl]acetyl]thiophene-2-carbohydrazide
CID 2563953
2-[[5-(2-oxo-2-thiophen-2-ylethyl)sulfanyl-1,3,4-thiadiazol-2-yl]sulfanyl]-1-thiophen-2-ylethanone
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N'-[2-(2-aminoethylsulfanyl)acetyl]thiophene-2-carbohydrazide
CID 43249305
1-N',4-N'-bis(thiophene-2-carbonyl)butanedihydrazide
CID 3715888
N'-[2-[[4-(2-chlorophenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]acetyl]thiophene-2-carbohydrazide
CID 5300385
N'-[2-[[5-(4-chlorophenyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]acetyl]thiophene-2-carbohydrazide
CID 3498590
N-hydroxy-4-[(5-pyridin-3-yl-1,3,4-thiadiazol-2-yl)sulfanyl]benzamide
CID 142452048
N'-[2-[1-(4-bromophenyl)imidazol-2-yl]sulfanylacetyl]thiophene-2-carbohydrazide
CID 18268677
N'-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]benzohydrazide
CID 672788
N'-[2-[(4-ethyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetyl]pyridine-3-carbohydrazide
CID 18162266
N-[4-(4-chlorophenyl)-2-pyridin-3-yl-1,3-thiazol-5-yl]thiophene-2-carboxamide
CID 34115598

Frequently Asked Questions

What is the IUPAC name of N'-[2-[(5-pyridin-3-yl-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]thiophene-2-carbohydrazide?
The IUPAC name of N'-[2-[(5-pyridin-3-yl-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]thiophene-2-carbohydrazide (CID 5297912) is N'-[2-[(5-pyridin-3-yl-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]thiophene-2-carbohydrazide.
What is the SMILES notation for N'-[2-[(5-pyridin-3-yl-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]thiophene-2-carbohydrazide?
The canonical SMILES for N'-[2-[(5-pyridin-3-yl-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]thiophene-2-carbohydrazide is O=C(CSc1nnc(-c2cccnc2)s1)NNC(=O)c1cccs1.
What is the InChIKey of N'-[2-[(5-pyridin-3-yl-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]thiophene-2-carbohydrazide?
The InChIKey is MICGSXDUPVAYOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N5O2S3/c20-11(16-17-12(21)10-4-2-6-22-10)8-23-14-19-18-13(24-14)9-3-1-5-15-7-9/h1-7H,8H2,(H,16,20)(H,17,21).
What are the key properties of N'-[2-[(5-pyridin-3-yl-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]thiophene-2-carbohydrazide?
N'-[2-[(5-pyridin-3-yl-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]thiophene-2-carbohydrazide has a molecular weight of 377.48 g/mol, XLogP of 2.21, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-[(5-pyridin-3-yl-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]thiophene-2-carbohydrazide is sourced from PubChem (CID 5297912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).