(Z)-2-(1,3-thiazol-2-yl)but-2-enediamide

C7H7N3O2S — CID 134348804

IUPAC(Z)-2-(1,3-thiazol-2-yl)but-2-enediamide
SMILESNC(=O)/C=C(/C(N)=O)c1nccs1
InChIInChI=1S/C7H7N3O2S/c8-5(11)3-4(6(9)12)7-10-1-2-13-7/h1-3H,(H2,8,11)(H2,9,12)/b4-3-
InChIKeyBBBSNVQMVDRHIR-ARJAWSKDSA-N
MW197.22 g/mol
LogP-0.50
Rot. Bonds3

About (Z)-2-(1,3-thiazol-2-yl)but-2-enediamide

(Z)-2-(1,3-thiazol-2-yl)but-2-enediamide (PubChem CID 134348804) has the molecular formula C7H7N3O2S and a molecular weight of 197.22 g/mol. Its IUPAC name is (Z)-2-(1,3-thiazol-2-yl)but-2-enediamide.

Molecular Properties

Compound Name(Z)-2-(1,3-thiazol-2-yl)but-2-enediamide
PubChem CID134348804
Molecular FormulaC7H7N3O2S
Molecular Weight197.22 g/mol
Exact Mass197.03
IUPAC Name(Z)-2-(1,3-thiazol-2-yl)but-2-enediamide
SMILESNC(=O)/C=C(/C(N)=O)c1nccs1
InChIInChI=1S/C7H7N3O2S/c8-5(11)3-4(6(9)12)7-10-1-2-13-7/h1-3H,(H2,8,11)(H2,9,12)/b4-3-
InChIKeyBBBSNVQMVDRHIR-ARJAWSKDSA-N
XLogP-0.50
TPSA99.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.22
LogP ≤ 5-0.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of (Z)-2-(1,3-thiazol-2-yl)but-2-enediamide?
The IUPAC name of (Z)-2-(1,3-thiazol-2-yl)but-2-enediamide (CID 134348804) is (Z)-2-(1,3-thiazol-2-yl)but-2-enediamide.
What is the SMILES notation for (Z)-2-(1,3-thiazol-2-yl)but-2-enediamide?
The canonical SMILES for (Z)-2-(1,3-thiazol-2-yl)but-2-enediamide is NC(=O)/C=C(/C(N)=O)c1nccs1.
What is the InChIKey of (Z)-2-(1,3-thiazol-2-yl)but-2-enediamide?
The InChIKey is BBBSNVQMVDRHIR-ARJAWSKDSA-N. The full InChI is InChI=1S/C7H7N3O2S/c8-5(11)3-4(6(9)12)7-10-1-2-13-7/h1-3H,(H2,8,11)(H2,9,12)/b4-3-.
What are the key properties of (Z)-2-(1,3-thiazol-2-yl)but-2-enediamide?
(Z)-2-(1,3-thiazol-2-yl)but-2-enediamide has a molecular weight of 197.22 g/mol, XLogP of -0.50, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-(1,3-thiazol-2-yl)but-2-enediamide is sourced from PubChem (CID 134348804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).