2-[2-[2-[(3-chlorophenyl)carbamothioyl]hydrazinyl]-2-oxoethyl]sulfanyl-N-(1,3-thiazol-2-yl)acetamide

C14H14ClN5O2S3 — CID 25103982

IUPAC2-[2-[2-[(3-chlorophenyl)carbamothioyl]hydrazinyl]-2-oxoethyl]sulfanyl-N-(1,3-thiazol-2-yl)acetamide
SMILESO=C(CSCC(=O)Nc1nccs1)NNC(=S)Nc1cccc(Cl)c1
InChIInChI=1S/C14H14ClN5O2S3/c15-9-2-1-3-10(6-9)17-13(23)20-19-12(22)8-24-7-11(21)18-14-16-4-5-25-14/h1-6H,7-8H2,(H,19,22)(H,16,18,21)(H2,17,20,23)
InChIKeyXOEHDCHZYWTDRC-UHFFFAOYSA-N
MW415.95 g/mol
LogP2.49
Rot. Bonds6

About 2-[2-[2-[(3-chlorophenyl)carbamothioyl]hydrazinyl]-2-oxoethyl]sulfanyl-N-(1,3-thiazol-2-yl)acetamide

2-[2-[2-[(3-chlorophenyl)carbamothioyl]hydrazinyl]-2-oxoethyl]sulfanyl-N-(1,3-thiazol-2-yl)acetamide (PubChem CID 25103982) has the molecular formula C14H14ClN5O2S3 and a molecular weight of 415.95 g/mol. Its IUPAC name is 2-[2-[2-[(3-chlorophenyl)carbamothioyl]hydrazinyl]-2-oxoethyl]sulfanyl-N-(1,3-thiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-[2-[2-[(3-chlorophenyl)carbamothioyl]hydrazinyl]-2-oxoethyl]sulfanyl-N-(1,3-thiazol-2-yl)acetamide
PubChem CID25103982
Molecular FormulaC14H14ClN5O2S3
Molecular Weight415.95 g/mol
Exact Mass415.00
IUPAC Name2-[2-[2-[(3-chlorophenyl)carbamothioyl]hydrazinyl]-2-oxoethyl]sulfanyl-N-(1,3-thiazol-2-yl)acetamide
SMILESO=C(CSCC(=O)Nc1nccs1)NNC(=S)Nc1cccc(Cl)c1
InChIInChI=1S/C14H14ClN5O2S3/c15-9-2-1-3-10(6-9)17-13(23)20-19-12(22)8-24-7-11(21)18-14-16-4-5-25-14/h1-6H,7-8H2,(H,19,22)(H,16,18,21)(H2,17,20,23)
InChIKeyXOEHDCHZYWTDRC-UHFFFAOYSA-N
XLogP2.49
TPSA95.15 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.95
LogP ≤ 52.49
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-[2-[2-[(4-chlorophenyl)carbamothioyl]hydrazinyl]-2-oxoethyl]sulfanyl-N-(1,3-thiazol-2-yl)acetamide
CID 25103983
2-[2-oxo-2-[2-[[2-(trifluoromethyl)phenyl]carbamothioyl]hydrazinyl]ethyl]sulfanyl-N-(1,3-thiazol-2-yl)acetamide
CID 25104099
2-[2-[2-[(3,4-dichlorophenyl)carbamothioyl]hydrazinyl]-2-oxoethyl]sulfanyl-N-phenylacetamide
CID 25103488
2-[2-[2-[(4-chlorophenyl)carbamothioyl]hydrazinyl]-2-oxoethyl]sulfanyl-N-phenylacetamide
CID 4096018
1-(3-chlorophenyl)-3-(3-phenylpropanoylamino)thiourea
CID 9480196
N-(4-ethylphenyl)-2-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]sulfanylacetamide
CID 1412173
(E)-4-oxo-4-[3-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]sulfanylanilino]but-2-enoic acid
CID 18898789
1-(3-chlorophenyl)-3-[[2-(3-fluorophenyl)acetyl]amino]thiourea
CID 9480319
1-(3-chlorophenyl)-3-[[2-(2-oxo-1,3-thiazolidin-3-yl)acetyl]amino]thiourea
CID 9088038
2-(3-methoxyanilino)-2-sulfanylidene-N-(1,3-thiazol-2-yl)acetamide
CID 17386383
1-[(2-acetylpyridine-3-carbonyl)amino]-3-(3-chlorophenyl)thiourea
CID 161440441
N-(3-chlorophenyl)-2-[(5-pyridin-4-yl-1,3-thiazol-2-yl)methylsulfanyl]acetamide
CID 10474627

Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-[(3-chlorophenyl)carbamothioyl]hydrazinyl]-2-oxoethyl]sulfanyl-N-(1,3-thiazol-2-yl)acetamide?
The IUPAC name of 2-[2-[2-[(3-chlorophenyl)carbamothioyl]hydrazinyl]-2-oxoethyl]sulfanyl-N-(1,3-thiazol-2-yl)acetamide (CID 25103982) is 2-[2-[2-[(3-chlorophenyl)carbamothioyl]hydrazinyl]-2-oxoethyl]sulfanyl-N-(1,3-thiazol-2-yl)acetamide.
What is the SMILES notation for 2-[2-[2-[(3-chlorophenyl)carbamothioyl]hydrazinyl]-2-oxoethyl]sulfanyl-N-(1,3-thiazol-2-yl)acetamide?
The canonical SMILES for 2-[2-[2-[(3-chlorophenyl)carbamothioyl]hydrazinyl]-2-oxoethyl]sulfanyl-N-(1,3-thiazol-2-yl)acetamide is O=C(CSCC(=O)Nc1nccs1)NNC(=S)Nc1cccc(Cl)c1.
What is the InChIKey of 2-[2-[2-[(3-chlorophenyl)carbamothioyl]hydrazinyl]-2-oxoethyl]sulfanyl-N-(1,3-thiazol-2-yl)acetamide?
The InChIKey is XOEHDCHZYWTDRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClN5O2S3/c15-9-2-1-3-10(6-9)17-13(23)20-19-12(22)8-24-7-11(21)18-14-16-4-5-25-14/h1-6H,7-8H2,(H,19,22)(H,16,18,21)(H2,17,20,23).
What are the key properties of 2-[2-[2-[(3-chlorophenyl)carbamothioyl]hydrazinyl]-2-oxoethyl]sulfanyl-N-(1,3-thiazol-2-yl)acetamide?
2-[2-[2-[(3-chlorophenyl)carbamothioyl]hydrazinyl]-2-oxoethyl]sulfanyl-N-(1,3-thiazol-2-yl)acetamide has a molecular weight of 415.95 g/mol, XLogP of 2.49, 6 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-[(3-chlorophenyl)carbamothioyl]hydrazinyl]-2-oxoethyl]sulfanyl-N-(1,3-thiazol-2-yl)acetamide is sourced from PubChem (CID 25103982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).