2-cyclopropyl-N-[3-[1-[[(5Z,6E)-5-(3-methylbutylidene)-6-propylidene-3,4-dihydro-1,4-azaphosphinin-3-yl]amino]ethyl]phenyl]-1,3-thiazole-5-carboxamide;propane

C30H43N4OPS — CID 155750477

IUPAC2-cyclopropyl-N-[3-[1-[[(5Z,6E)-5-(3-methylbutylidene)-6-propylidene-3,4-dihydro-1,4-azaphosphinin-3-yl]amino]ethyl]phenyl]-1,3-thiazole-5-carboxamide;propane
SMILESCC/C=C1/N=CC(NC(C)c2cccc(NC(=O)c3cnc(C4CC4)s3)c2)P/C1=C\CC(C)C.CCC
InChIInChI=1S/C27H35N4OPS.C3H8/c1-5-7-22-23(13-10-17(2)3)33-25(16-28-22)30-18(4)20-8-6-9-21(14-20)31-26(32)24-15-29-27(34-24)19-11-12-19;1-3-2/h6-9,13-19,25,30,33H,5,10-12H2,1-4H3,(H,31,32);3H2,1-2H3/b22-7+,23-13-;
InChIKeyWBFYMYWJLJPCOA-YTSAGQFCSA-N
MW538.74 g/mol
LogP8.65
Rot. Bonds9

About 2-cyclopropyl-N-[3-[1-[[(5Z,6E)-5-(3-methylbutylidene)-6-propylidene-3,4-dihydro-1,4-azaphosphinin-3-yl]amino]ethyl]phenyl]-1,3-thiazole-5-carboxamide;propane

2-cyclopropyl-N-[3-[1-[[(5Z,6E)-5-(3-methylbutylidene)-6-propylidene-3,4-dihydro-1,4-azaphosphinin-3-yl]amino]ethyl]phenyl]-1,3-thiazole-5-carboxamide;propane (PubChem CID 155750477) has the molecular formula C30H43N4OPS and a molecular weight of 538.74 g/mol. Its IUPAC name is 2-cyclopropyl-N-[3-[1-[[(5Z,6E)-5-(3-methylbutylidene)-6-propylidene-3,4-dihydro-1,4-azaphosphinin-3-yl]amino]ethyl]phenyl]-1,3-thiazole-5-carboxamide;propane.

Molecular Properties

Compound Name2-cyclopropyl-N-[3-[1-[[(5Z,6E)-5-(3-methylbutylidene)-6-propylidene-3,4-dihydro-1,4-azaphosphinin-3-yl]amino]ethyl]phenyl]-1,3-thiazole-5-carboxamide;propane
PubChem CID155750477
Molecular FormulaC30H43N4OPS
Molecular Weight538.74 g/mol
Exact Mass538.29
IUPAC Name2-cyclopropyl-N-[3-[1-[[(5Z,6E)-5-(3-methylbutylidene)-6-propylidene-3,4-dihydro-1,4-azaphosphinin-3-yl]amino]ethyl]phenyl]-1,3-thiazole-5-carboxamide;propane
SMILESCC/C=C1/N=CC(NC(C)c2cccc(NC(=O)c3cnc(C4CC4)s3)c2)P/C1=C\CC(C)C.CCC
InChIInChI=1S/C27H35N4OPS.C3H8/c1-5-7-22-23(13-10-17(2)3)33-25(16-28-22)30-18(4)20-8-6-9-21(14-20)31-26(32)24-15-29-27(34-24)19-11-12-19;1-3-2/h6-9,13-19,25,30,33H,5,10-12H2,1-4H3,(H,31,32);3H2,1-2H3/b22-7+,23-13-;
InChIKeyWBFYMYWJLJPCOA-YTSAGQFCSA-N
XLogP8.65
TPSA66.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500538.74
LogP ≤ 58.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-cyclopropyl-N-[3-[1-[[(5Z,6E)-5-(3-methylbutylidene)-6-propylidene-3,4-dihydro-1,4-azaphosphinin-3-yl]amino]ethyl]phenyl]-1,3-thiazole-5-carboxamide;propane with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-N-[3-[1-[[(5Z,6E)-5-(3-methylbutylidene)-6-propylidene-3,4-dihydro-1,4-azaphosphinin-3-yl]amino]ethyl]phenyl]-1,3-thiazole-5-carboxamide;propane?
The IUPAC name of 2-cyclopropyl-N-[3-[1-[[(5Z,6E)-5-(3-methylbutylidene)-6-propylidene-3,4-dihydro-1,4-azaphosphinin-3-yl]amino]ethyl]phenyl]-1,3-thiazole-5-carboxamide;propane (CID 155750477) is 2-cyclopropyl-N-[3-[1-[[(5Z,6E)-5-(3-methylbutylidene)-6-propylidene-3,4-dihydro-1,4-azaphosphinin-3-yl]amino]ethyl]phenyl]-1,3-thiazole-5-carboxamide;propane.
What is the SMILES notation for 2-cyclopropyl-N-[3-[1-[[(5Z,6E)-5-(3-methylbutylidene)-6-propylidene-3,4-dihydro-1,4-azaphosphinin-3-yl]amino]ethyl]phenyl]-1,3-thiazole-5-carboxamide;propane?
The canonical SMILES for 2-cyclopropyl-N-[3-[1-[[(5Z,6E)-5-(3-methylbutylidene)-6-propylidene-3,4-dihydro-1,4-azaphosphinin-3-yl]amino]ethyl]phenyl]-1,3-thiazole-5-carboxamide;propane is CC/C=C1/N=CC(NC(C)c2cccc(NC(=O)c3cnc(C4CC4)s3)c2)P/C1=C\CC(C)C.CCC.
What is the InChIKey of 2-cyclopropyl-N-[3-[1-[[(5Z,6E)-5-(3-methylbutylidene)-6-propylidene-3,4-dihydro-1,4-azaphosphinin-3-yl]amino]ethyl]phenyl]-1,3-thiazole-5-carboxamide;propane?
The InChIKey is WBFYMYWJLJPCOA-YTSAGQFCSA-N. The full InChI is InChI=1S/C27H35N4OPS.C3H8/c1-5-7-22-23(13-10-17(2)3)33-25(16-28-22)30-18(4)20-8-6-9-21(14-20)31-26(32)24-15-29-27(34-24)19-11-12-19;1-3-2/h6-9,13-19,25,30,33H,5,10-12H2,1-4H3,(H,31,32);3H2,1-2H3/b22-7+,23-13-;.
What are the key properties of 2-cyclopropyl-N-[3-[1-[[(5Z,6E)-5-(3-methylbutylidene)-6-propylidene-3,4-dihydro-1,4-azaphosphinin-3-yl]amino]ethyl]phenyl]-1,3-thiazole-5-carboxamide;propane?
2-cyclopropyl-N-[3-[1-[[(5Z,6E)-5-(3-methylbutylidene)-6-propylidene-3,4-dihydro-1,4-azaphosphinin-3-yl]amino]ethyl]phenyl]-1,3-thiazole-5-carboxamide;propane has a molecular weight of 538.74 g/mol, XLogP of 8.65, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-N-[3-[1-[[(5Z,6E)-5-(3-methylbutylidene)-6-propylidene-3,4-dihydro-1,4-azaphosphinin-3-yl]amino]ethyl]phenyl]-1,3-thiazole-5-carboxamide;propane is sourced from PubChem (CID 155750477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).