acetylene;ethane;4-[[4-(furan-2-ylmethylamino)-1,2,5-thiadiazol-3-yl]amino]-3-hydroxy-N,N-dimethylthiophene-2-carboxamide;2-methylpropane

C22H33N5O3S2 — CID 142883683

About acetylene;ethane;4-[[4-(furan-2-ylmethylamino)-1,2,5-thiadiazol-3-yl]amino]-3-hydroxy-N,N-dimethylthiophene-2-carboxamide;2-methylpropane

acetylene;ethane;4-[[4-(furan-2-ylmethylamino)-1,2,5-thiadiazol-3-yl]amino]-3-hydroxy-N,N-dimethylthiophene-2-carboxamide;2-methylpropane (PubChem CID 142883683) has the molecular formula C22H33N5O3S2 and a molecular weight of 479.67 g/mol. Its IUPAC name is acetylene;ethane;4-[[4-(furan-2-ylmethylamino)-1,2,5-thiadiazol-3-yl]amino]-3-hydroxy-N,N-dimethylthiophene-2-carboxamide;2-methylpropane.

Molecular Properties

• Compound Name: acetylene;ethane;4-[[4-(furan-2-ylmethylamino)-1,2,5-thiadiazol-3-yl]amino]-3-hydroxy-N,N-dimethylthiophene-2-carboxamide;2-methylpropane
• PubChem CID: 142883683
• Molecular Formula: C22H33N5O3S2
• Molecular Weight: 479.67 g/mol
• Exact Mass: 479.20
• IUPAC Name: acetylene;ethane;4-[[4-(furan-2-ylmethylamino)-1,2,5-thiadiazol-3-yl]amino]-3-hydroxy-N,N-dimethylthiophene-2-carboxamide;2-methylpropane
• SMILES: C#C.CC.CC(C)C.CN(C)C(=O)c1scc(Nc2nsnc2NCc2ccco2)c1O
• InChI: InChI=1S/C14H15N5O3S2.C4H10.C2H6.C2H2/c1-19(2)14(21)11-10(20)9(7-23-11)16-13-12(17-24-18-13)15-6-8-4-3-5-22-8;1-4(2)3;2*1-2/h3-5,7,20H,6H2,1-2H3,(H,15,17)(H,16,18);4H,1-3H3;1-2H3;1-2H
• InChIKey: BLGPDRHIANVGQQ-UHFFFAOYSA-N
• XLogP: 5.89
• TPSA: 103.52 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 9
• Rotatable Bonds: 6
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	479.67
LogP ≤ 5	5.89
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'thiophene_hydroxy(28)', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of acetylene;ethane;4-[[4-(furan-2-ylmethylamino)-1,2,5-thiadiazol-3-yl]amino]-3-hydroxy-N,N-dimethylthiophene-2-carboxamide;2-methylpropane?

The IUPAC name of acetylene;ethane;4-[[4-(furan-2-ylmethylamino)-1,2,5-thiadiazol-3-yl]amino]-3-hydroxy-N,N-dimethylthiophene-2-carboxamide;2-methylpropane (CID 142883683) is acetylene;ethane;4-[[4-(furan-2-ylmethylamino)-1,2,5-thiadiazol-3-yl]amino]-3-hydroxy-N,N-dimethylthiophene-2-carboxamide;2-methylpropane.

What is the SMILES notation for acetylene;ethane;4-[[4-(furan-2-ylmethylamino)-1,2,5-thiadiazol-3-yl]amino]-3-hydroxy-N,N-dimethylthiophene-2-carboxamide;2-methylpropane?

The canonical SMILES for acetylene;ethane;4-[[4-(furan-2-ylmethylamino)-1,2,5-thiadiazol-3-yl]amino]-3-hydroxy-N,N-dimethylthiophene-2-carboxamide;2-methylpropane is C#C.CC.CC(C)C.CN(C)C(=O)c1scc(Nc2nsnc2NCc2ccco2)c1O.

What is the InChIKey of acetylene;ethane;4-[[4-(furan-2-ylmethylamino)-1,2,5-thiadiazol-3-yl]amino]-3-hydroxy-N,N-dimethylthiophene-2-carboxamide;2-methylpropane?

The InChIKey is BLGPDRHIANVGQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N5O3S2.C4H10.C2H6.C2H2/c1-19(2)14(21)11-10(20)9(7-23-11)16-13-12(17-24-18-13)15-6-8-4-3-5-22-8;1-4(2)3;2*1-2/h3-5,7,20H,6H2,1-2H3,(H,15,17)(H,16,18);4H,1-3H3;1-2H3;1-2H.

What are the key properties of acetylene;ethane;4-[[4-(furan-2-ylmethylamino)-1,2,5-thiadiazol-3-yl]amino]-3-hydroxy-N,N-dimethylthiophene-2-carboxamide;2-methylpropane?

acetylene;ethane;4-[[4-(furan-2-ylmethylamino)-1,2,5-thiadiazol-3-yl]amino]-3-hydroxy-N,N-dimethylthiophene-2-carboxamide;2-methylpropane has a molecular weight of 479.67 g/mol, XLogP of 5.89, 6 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for acetylene;ethane;4-[[4-(furan-2-ylmethylamino)-1,2,5-thiadiazol-3-yl]amino]-3-hydroxy-N,N-dimethylthiophene-2-carboxamide;2-methylpropane is sourced from PubChem (CID 142883683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).