2-cyano-N-[(Z)-(4-hydroxy-2-sulfanylidene-3H-1,3-thiazol-5-yl)methylideneamino]acetamide

C7H6N4O2S2 — CID 137271628

IUPAC2-cyano-N-[(Z)-(4-hydroxy-2-sulfanylidene-3H-1,3-thiazol-5-yl)methylideneamino]acetamide
SMILESN#CCC(=O)N/N=C\c1sc(=S)[nH]c1O
InChIInChI=1S/C7H6N4O2S2/c8-2-1-5(12)11-9-3-4-6(13)10-7(14)15-4/h3,13H,1H2,(H,10,14)(H,11,12)/b9-3-
InChIKeySRCRDEWPWDZZGW-OQFOIZHKSA-N
MW242.28 g/mol
LogP0.88
Rot. Bonds3

About 2-cyano-N-[(Z)-(4-hydroxy-2-sulfanylidene-3H-1,3-thiazol-5-yl)methylideneamino]acetamide

2-cyano-N-[(Z)-(4-hydroxy-2-sulfanylidene-3H-1,3-thiazol-5-yl)methylideneamino]acetamide (PubChem CID 137271628) has the molecular formula C7H6N4O2S2 and a molecular weight of 242.28 g/mol. Its IUPAC name is 2-cyano-N-[(Z)-(4-hydroxy-2-sulfanylidene-3H-1,3-thiazol-5-yl)methylideneamino]acetamide.

Molecular Properties

Compound Name2-cyano-N-[(Z)-(4-hydroxy-2-sulfanylidene-3H-1,3-thiazol-5-yl)methylideneamino]acetamide
PubChem CID137271628
Molecular FormulaC7H6N4O2S2
Molecular Weight242.28 g/mol
Exact Mass241.99
IUPAC Name2-cyano-N-[(Z)-(4-hydroxy-2-sulfanylidene-3H-1,3-thiazol-5-yl)methylideneamino]acetamide
SMILESN#CCC(=O)N/N=C\c1sc(=S)[nH]c1O
InChIInChI=1S/C7H6N4O2S2/c8-2-1-5(12)11-9-3-4-6(13)10-7(14)15-4/h3,13H,1H2,(H,10,14)(H,11,12)/b9-3-
InChIKeySRCRDEWPWDZZGW-OQFOIZHKSA-N
XLogP0.88
TPSA101.27 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.28
LogP ≤ 50.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

1-(2-hydroxyphenyl)-3-[(E)-(4-hydroxy-2-sulfanylidene-3H-1,3-thiazol-5-yl)methylideneamino]urea
CID 135962757
N-[(Z)-(5-bromothiophen-2-yl)methylideneamino]-2-cyanoacetamide
CID 5375065
N-[[3-[(4-bromophenyl)methyl]-4-chloro-2-oxo-1,3-thiazol-5-yl]methylideneamino]-2-cyanoacetamide
CID 4511358
2-cyano-N-[(2-hydroxy-3,5-diiodophenyl)methylideneamino]acetamide
CID 3112408
2-cyano-N-[(2-methoxyphenyl)methylideneamino]acetamide
CID 739635
2-cyano-N-[(Z)-[4-hydroxy-3,5-di(propan-2-yl)phenyl]methylideneamino]acetamide
CID 137173877
N-[(E)-(2-chlorophenyl)methylideneamino]-2-cyanoacetamide
CID 6883998
N-[(2-chlorophenyl)methylideneamino]-2-cyanoacetamide
CID 709280
2-cyano-N-[(2-fluorophenyl)methylideneamino]acetamide
CID 3955883
2-cyano-N-[(Z)-naphthalen-2-ylmethylideneamino]acetamide
CID 6048140
2-cyano-N-[(4-ethoxyphenyl)methylideneamino]acetamide
CID 2806400
ethyl 4-[(4-hydroxy-2-sulfanylidene-3H-1,3-thiazol-5-yl)methylideneamino]benzoate
CID 137068988

Frequently Asked Questions

What is the IUPAC name of 2-cyano-N-[(Z)-(4-hydroxy-2-sulfanylidene-3H-1,3-thiazol-5-yl)methylideneamino]acetamide?
The IUPAC name of 2-cyano-N-[(Z)-(4-hydroxy-2-sulfanylidene-3H-1,3-thiazol-5-yl)methylideneamino]acetamide (CID 137271628) is 2-cyano-N-[(Z)-(4-hydroxy-2-sulfanylidene-3H-1,3-thiazol-5-yl)methylideneamino]acetamide.
What is the SMILES notation for 2-cyano-N-[(Z)-(4-hydroxy-2-sulfanylidene-3H-1,3-thiazol-5-yl)methylideneamino]acetamide?
The canonical SMILES for 2-cyano-N-[(Z)-(4-hydroxy-2-sulfanylidene-3H-1,3-thiazol-5-yl)methylideneamino]acetamide is N#CCC(=O)N/N=C\c1sc(=S)[nH]c1O.
What is the InChIKey of 2-cyano-N-[(Z)-(4-hydroxy-2-sulfanylidene-3H-1,3-thiazol-5-yl)methylideneamino]acetamide?
The InChIKey is SRCRDEWPWDZZGW-OQFOIZHKSA-N. The full InChI is InChI=1S/C7H6N4O2S2/c8-2-1-5(12)11-9-3-4-6(13)10-7(14)15-4/h3,13H,1H2,(H,10,14)(H,11,12)/b9-3-.
What are the key properties of 2-cyano-N-[(Z)-(4-hydroxy-2-sulfanylidene-3H-1,3-thiazol-5-yl)methylideneamino]acetamide?
2-cyano-N-[(Z)-(4-hydroxy-2-sulfanylidene-3H-1,3-thiazol-5-yl)methylideneamino]acetamide has a molecular weight of 242.28 g/mol, XLogP of 0.88, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-N-[(Z)-(4-hydroxy-2-sulfanylidene-3H-1,3-thiazol-5-yl)methylideneamino]acetamide is sourced from PubChem (CID 137271628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).