4-amino-N,3-bis(prop-2-enyl)-2-sulfanylidene-1,3-thiazole-5-carboxamide

C10H13N3OS2 — CID 4622826

IUPAC4-amino-N,3-bis(prop-2-enyl)-2-sulfanylidene-1,3-thiazole-5-carboxamide
SMILESC=CCNC(=O)c1sc(=S)n(CC=C)c1N
InChIInChI=1S/C10H13N3OS2/c1-3-5-12-9(14)7-8(11)13(6-4-2)10(15)16-7/h3-4H,1-2,5-6,11H2,(H,12,14)
InChIKeyMXSWQKGOQLOQOE-UHFFFAOYSA-N
MW255.37 g/mol
LogP1.96
Rot. Bonds5

About 4-amino-N,3-bis(prop-2-enyl)-2-sulfanylidene-1,3-thiazole-5-carboxamide

4-amino-N,3-bis(prop-2-enyl)-2-sulfanylidene-1,3-thiazole-5-carboxamide (PubChem CID 4622826) has the molecular formula C10H13N3OS2 and a molecular weight of 255.37 g/mol. Its IUPAC name is 4-amino-N,3-bis(prop-2-enyl)-2-sulfanylidene-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name4-amino-N,3-bis(prop-2-enyl)-2-sulfanylidene-1,3-thiazole-5-carboxamide
PubChem CID4622826
Molecular FormulaC10H13N3OS2
Molecular Weight255.37 g/mol
Exact Mass255.05
IUPAC Name4-amino-N,3-bis(prop-2-enyl)-2-sulfanylidene-1,3-thiazole-5-carboxamide
SMILESC=CCNC(=O)c1sc(=S)n(CC=C)c1N
InChIInChI=1S/C10H13N3OS2/c1-3-5-12-9(14)7-8(11)13(6-4-2)10(15)16-7/h3-4H,1-2,5-6,11H2,(H,12,14)
InChIKeyMXSWQKGOQLOQOE-UHFFFAOYSA-N
XLogP1.96
TPSA60.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.37
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiaz_ene_B(17)', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-amino-N,3-bis(prop-2-enyl)-2-sulfanylidene-1,3-thiazole-5-carboxamide?
The IUPAC name of 4-amino-N,3-bis(prop-2-enyl)-2-sulfanylidene-1,3-thiazole-5-carboxamide (CID 4622826) is 4-amino-N,3-bis(prop-2-enyl)-2-sulfanylidene-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 4-amino-N,3-bis(prop-2-enyl)-2-sulfanylidene-1,3-thiazole-5-carboxamide?
The canonical SMILES for 4-amino-N,3-bis(prop-2-enyl)-2-sulfanylidene-1,3-thiazole-5-carboxamide is C=CCNC(=O)c1sc(=S)n(CC=C)c1N.
What is the InChIKey of 4-amino-N,3-bis(prop-2-enyl)-2-sulfanylidene-1,3-thiazole-5-carboxamide?
The InChIKey is MXSWQKGOQLOQOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3OS2/c1-3-5-12-9(14)7-8(11)13(6-4-2)10(15)16-7/h3-4H,1-2,5-6,11H2,(H,12,14).
What are the key properties of 4-amino-N,3-bis(prop-2-enyl)-2-sulfanylidene-1,3-thiazole-5-carboxamide?
4-amino-N,3-bis(prop-2-enyl)-2-sulfanylidene-1,3-thiazole-5-carboxamide has a molecular weight of 255.37 g/mol, XLogP of 1.96, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N,3-bis(prop-2-enyl)-2-sulfanylidene-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 4622826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).