(2Z)-2-cyano-2-(1,3-thiazolidin-2-ylidene)acetamide

C6H7N3OS — CID 124849651

IUPAC(2Z)-2-cyano-2-(1,3-thiazolidin-2-ylidene)acetamide
SMILESN#C/C(C(N)=O)=C1\NCCS1
InChIInChI=1S/C6H7N3OS/c7-3-4(5(8)10)6-9-1-2-11-6/h9H,1-2H2,(H2,8,10)/b6-4-
InChIKeyPDVUUIVZOAMWAT-XQRVVYSFSA-N
MW169.21 g/mol
LogP-0.46
Rot. Bonds1

About (2Z)-2-cyano-2-(1,3-thiazolidin-2-ylidene)acetamide

(2Z)-2-cyano-2-(1,3-thiazolidin-2-ylidene)acetamide (PubChem CID 124849651) has the molecular formula C6H7N3OS and a molecular weight of 169.21 g/mol. Its IUPAC name is (2Z)-2-cyano-2-(1,3-thiazolidin-2-ylidene)acetamide.

Molecular Properties

Compound Name(2Z)-2-cyano-2-(1,3-thiazolidin-2-ylidene)acetamide
PubChem CID124849651
Molecular FormulaC6H7N3OS
Molecular Weight169.21 g/mol
Exact Mass169.03
IUPAC Name(2Z)-2-cyano-2-(1,3-thiazolidin-2-ylidene)acetamide
SMILESN#C/C(C(N)=O)=C1\NCCS1
InChIInChI=1S/C6H7N3OS/c7-3-4(5(8)10)6-9-1-2-11-6/h9H,1-2H2,(H2,8,10)/b6-4-
InChIKeyPDVUUIVZOAMWAT-XQRVVYSFSA-N
XLogP-0.46
TPSA78.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.21
LogP ≤ 5-0.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'conjugated_nitrile_group', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

methyl 2-cyano-2-(1,3-thiazolidin-2-ylidene)acetate
CID 73202331
ethyl (2E)-2-cyano-2-(1,3-thiazolidin-2-ylidene)acetate
CID 24971665
bis(2,2,2-trifluoroethyl) 2-(1,3-thiazolidin-2-ylidene)propanedioate
CID 15947005
(3E)-1,1-dichloro-3-nitro-3-(1,3-thiazolidin-2-ylidene)propan-2-one
CID 6172306
(2Z)-2-cyano-2-(3-methylcyclopent-2-en-1-ylidene)acetamide
CID 6308809
2-cyano-2-(1-methylpyrrolidin-2-ylidene)acetamide
CID 947380
(4E)-4-(2-amino-1-cyano-2-oxoethylidene)-2,3-dihydrothiochromene-6-sulfonic acid
CID 5474932
(2E)-2-(hydroxymethylidene)thiomorpholin-3-one
CID 20678244
(2E)-2-(2,3,3-trichloro-1-nitroprop-2-enylidene)-1,3-thiazolidine
CID 3004958
(2Z)-2-cyano-2-(1,7-dihydropurin-6-ylidene)acetamide
CID 13486102
(2E)-2-cyano-2-[5-(2,6-dichlorophenyl)-1,3-oxazolidin-2-ylidene]acetamide
CID 102059222
2-propan-2-ylidene-1,3-thiazinane
CID 58627885

Frequently Asked Questions

What is the IUPAC name of (2Z)-2-cyano-2-(1,3-thiazolidin-2-ylidene)acetamide?
The IUPAC name of (2Z)-2-cyano-2-(1,3-thiazolidin-2-ylidene)acetamide (CID 124849651) is (2Z)-2-cyano-2-(1,3-thiazolidin-2-ylidene)acetamide.
What is the SMILES notation for (2Z)-2-cyano-2-(1,3-thiazolidin-2-ylidene)acetamide?
The canonical SMILES for (2Z)-2-cyano-2-(1,3-thiazolidin-2-ylidene)acetamide is N#C/C(C(N)=O)=C1\NCCS1.
What is the InChIKey of (2Z)-2-cyano-2-(1,3-thiazolidin-2-ylidene)acetamide?
The InChIKey is PDVUUIVZOAMWAT-XQRVVYSFSA-N. The full InChI is InChI=1S/C6H7N3OS/c7-3-4(5(8)10)6-9-1-2-11-6/h9H,1-2H2,(H2,8,10)/b6-4-.
What are the key properties of (2Z)-2-cyano-2-(1,3-thiazolidin-2-ylidene)acetamide?
(2Z)-2-cyano-2-(1,3-thiazolidin-2-ylidene)acetamide has a molecular weight of 169.21 g/mol, XLogP of -0.46, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-2-cyano-2-(1,3-thiazolidin-2-ylidene)acetamide is sourced from PubChem (CID 124849651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).