2-[3-[[2-(1,3-azaphospholidine-2-carbonylamino)-3-methylpentanoyl]amino]-4-methylpentyl]-N-[(6Z,8Z)-2-methyl-1-oxo-6-[(Z)-prop-1-enyl]deca-6,8-dien-4-yl]-1,3-thiazole-4-carboxamide

C34H54N5O4PS — CID 130425505

IUPAC2-[3-[[2-(1,3-azaphospholidine-2-carbonylamino)-3-methylpentanoyl]amino]-4-methylpentyl]-N-[(6Z,8Z)-2-methyl-1-oxo-6-[(Z)-prop-1-enyl]deca-6,8-dien-4-yl]-1,3-thiazole-4-carboxamide
SMILESC/C=C\C=C(/C=C\C)CC(CC(C)C=O)NC(=O)c1csc(CCC(NC(=O)C(NC(=O)C2NCCP2)C(C)CC)C(C)C)n1
InChIInChI=1S/C34H54N5O4PS/c1-8-11-13-25(12-9-2)19-26(18-23(6)20-40)36-31(41)28-21-45-29(37-28)15-14-27(22(4)5)38-32(42)30(24(7)10-3)39-33(43)34-35-16-17-44-34/h8-9,11-13,20-24,26-27,30,34-35,44H,10,14-19H2,1-7H3,(H,36,41)(H,38,42)(H,39,43)/b11-8-,12-9-,25-13+
InChIKeyXBMMIVDYOOEACN-PXGXONTISA-N
MW659.88 g/mol
LogP5.15
Rot. Bonds19

About 2-[3-[[2-(1,3-azaphospholidine-2-carbonylamino)-3-methylpentanoyl]amino]-4-methylpentyl]-N-[(6Z,8Z)-2-methyl-1-oxo-6-[(Z)-prop-1-enyl]deca-6,8-dien-4-yl]-1,3-thiazole-4-carboxamide

2-[3-[[2-(1,3-azaphospholidine-2-carbonylamino)-3-methylpentanoyl]amino]-4-methylpentyl]-N-[(6Z,8Z)-2-methyl-1-oxo-6-[(Z)-prop-1-enyl]deca-6,8-dien-4-yl]-1,3-thiazole-4-carboxamide (PubChem CID 130425505) has the molecular formula C34H54N5O4PS and a molecular weight of 659.88 g/mol. Its IUPAC name is 2-[3-[[2-(1,3-azaphospholidine-2-carbonylamino)-3-methylpentanoyl]amino]-4-methylpentyl]-N-[(6Z,8Z)-2-methyl-1-oxo-6-[(Z)-prop-1-enyl]deca-6,8-dien-4-yl]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-[3-[[2-(1,3-azaphospholidine-2-carbonylamino)-3-methylpentanoyl]amino]-4-methylpentyl]-N-[(6Z,8Z)-2-methyl-1-oxo-6-[(Z)-prop-1-enyl]deca-6,8-dien-4-yl]-1,3-thiazole-4-carboxamide
PubChem CID130425505
Molecular FormulaC34H54N5O4PS
Molecular Weight659.88 g/mol
Exact Mass659.36
IUPAC Name2-[3-[[2-(1,3-azaphospholidine-2-carbonylamino)-3-methylpentanoyl]amino]-4-methylpentyl]-N-[(6Z,8Z)-2-methyl-1-oxo-6-[(Z)-prop-1-enyl]deca-6,8-dien-4-yl]-1,3-thiazole-4-carboxamide
SMILESC/C=C\C=C(/C=C\C)CC(CC(C)C=O)NC(=O)c1csc(CCC(NC(=O)C(NC(=O)C2NCCP2)C(C)CC)C(C)C)n1
InChIInChI=1S/C34H54N5O4PS/c1-8-11-13-25(12-9-2)19-26(18-23(6)20-40)36-31(41)28-21-45-29(37-28)15-14-27(22(4)5)38-32(42)30(24(7)10-3)39-33(43)34-35-16-17-44-34/h8-9,11-13,20-24,26-27,30,34-35,44H,10,14-19H2,1-7H3,(H,36,41)(H,38,42)(H,39,43)/b11-8-,12-9-,25-13+
InChIKeyXBMMIVDYOOEACN-PXGXONTISA-N
XLogP5.15
TPSA129.29 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds19
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500659.88
LogP ≤ 55.15
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 2-[3-[[2-(1,3-azaphospholidine-2-carbonylamino)-3-methylpentanoyl]amino]-4-methylpentyl]-N-[(6Z,8Z)-2-methyl-1-oxo-6-[(Z)-prop-1-enyl]deca-6,8-dien-4-yl]-1,3-thiazole-4-carboxamide with MolForge

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Related Compounds

2-[3-[ethyl-[3-methyl-2-[(1-methylpyrrolidine-2-carbonyl)amino]pentanoyl]amino]-4-methylpentyl]-N-[4-methyl-5-oxo-1-(3-sulfanyl-4-tritiobenzene-5-id-1-yl)hexan-2-yl]-1,3-thiazole-4-carboxamide;tungsten;uranium;vanadium
CID 59197772
2-[3-[hydroxymethyl-[3-methyl-2-[(1-methylpyrrolidine-2-carbonyl)amino]pentanoyl]amino]-4-methylpentyl]-N-[4-methyl-5-oxo-1-(3-sulfanyl-4-tritiobenzene-5-id-1-yl)hexan-2-yl]-1,3-thiazole-4-carboxamide;tungsten;uranium;vanadium
CID 59197776
2-[4-methyl-3-[methyl-[3-methyl-2-[(1-methylpyrrolidine-2-carbonyl)amino]pentanoyl]amino]pentyl]-N-[4-methyl-5-oxo-1-(3-sulfanyl-4-tritiobenzene-5-id-1-yl)hexan-2-yl]-1,3-thiazole-4-carboxamide;tungsten;uranium;vanadium
CID 59197803
2-[4-methyl-3-[[3-methyl-2-[(1-methylpyrrolidine-2-carbonyl)amino]pentanoyl]amino]pentyl]-N-[4-methyl-5-oxo-1-(3-sulfanyl-4-tritiobenzene-5-id-1-yl)hexan-2-yl]-1,3-thiazole-4-carboxamide;tungsten;uranium;vanadium
CID 59197826
N-[(6Z,8Z)-6-ethenyl-2-methyl-1-oxodeca-6,8-dien-4-yl]-2-[4-methyl-3-[[3-methyl-2-[(3-methylpyrrolidine-2-carbonyl)amino]pentanoyl]amino]pentyl]-1,3-thiazole-4-carboxamide
CID 129083139
N-[(6Z,8Z)-6-ethenyl-2-methyl-1-oxodeca-6,8-dien-4-yl]-2-[4-methyl-3-[[3-methyl-2-[(4-methylpiperidine-2-carbonyl)amino]pentanoyl]amino]pentyl]-1,3-thiazole-4-carboxamide
CID 131992122
2-[3-[[2-(1,3-azaphospholidine-2-carbonylamino)-3-methylpentanoyl]amino]-4-methylpentyl]-N-[(6Z,8Z)-6-ethenyl-2-methyl-1-oxodeca-6,8-dien-4-yl]-1,3-thiazole-4-carboxamide
CID 146184756
2-[3-[[2-(1,3-azaphospholidine-2-carbonylamino)-3-methylpentanoyl]amino]-4-methylpentyl]-N-(4-methyl-5-oxo-1-phenylpentan-2-yl)-1,3-thiazole-4-carboxamide
CID 156417535

Frequently Asked Questions

What is the IUPAC name of 2-[3-[[2-(1,3-azaphospholidine-2-carbonylamino)-3-methylpentanoyl]amino]-4-methylpentyl]-N-[(6Z,8Z)-2-methyl-1-oxo-6-[(Z)-prop-1-enyl]deca-6,8-dien-4-yl]-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-[3-[[2-(1,3-azaphospholidine-2-carbonylamino)-3-methylpentanoyl]amino]-4-methylpentyl]-N-[(6Z,8Z)-2-methyl-1-oxo-6-[(Z)-prop-1-enyl]deca-6,8-dien-4-yl]-1,3-thiazole-4-carboxamide (CID 130425505) is 2-[3-[[2-(1,3-azaphospholidine-2-carbonylamino)-3-methylpentanoyl]amino]-4-methylpentyl]-N-[(6Z,8Z)-2-methyl-1-oxo-6-[(Z)-prop-1-enyl]deca-6,8-dien-4-yl]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-[3-[[2-(1,3-azaphospholidine-2-carbonylamino)-3-methylpentanoyl]amino]-4-methylpentyl]-N-[(6Z,8Z)-2-methyl-1-oxo-6-[(Z)-prop-1-enyl]deca-6,8-dien-4-yl]-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-[3-[[2-(1,3-azaphospholidine-2-carbonylamino)-3-methylpentanoyl]amino]-4-methylpentyl]-N-[(6Z,8Z)-2-methyl-1-oxo-6-[(Z)-prop-1-enyl]deca-6,8-dien-4-yl]-1,3-thiazole-4-carboxamide is C/C=C\C=C(/C=C\C)CC(CC(C)C=O)NC(=O)c1csc(CCC(NC(=O)C(NC(=O)C2NCCP2)C(C)CC)C(C)C)n1.
What is the InChIKey of 2-[3-[[2-(1,3-azaphospholidine-2-carbonylamino)-3-methylpentanoyl]amino]-4-methylpentyl]-N-[(6Z,8Z)-2-methyl-1-oxo-6-[(Z)-prop-1-enyl]deca-6,8-dien-4-yl]-1,3-thiazole-4-carboxamide?
The InChIKey is XBMMIVDYOOEACN-PXGXONTISA-N. The full InChI is InChI=1S/C34H54N5O4PS/c1-8-11-13-25(12-9-2)19-26(18-23(6)20-40)36-31(41)28-21-45-29(37-28)15-14-27(22(4)5)38-32(42)30(24(7)10-3)39-33(43)34-35-16-17-44-34/h8-9,11-13,20-24,26-27,30,34-35,44H,10,14-19H2,1-7H3,(H,36,41)(H,38,42)(H,39,43)/b11-8-,12-9-,25-13+.
What are the key properties of 2-[3-[[2-(1,3-azaphospholidine-2-carbonylamino)-3-methylpentanoyl]amino]-4-methylpentyl]-N-[(6Z,8Z)-2-methyl-1-oxo-6-[(Z)-prop-1-enyl]deca-6,8-dien-4-yl]-1,3-thiazole-4-carboxamide?
2-[3-[[2-(1,3-azaphospholidine-2-carbonylamino)-3-methylpentanoyl]amino]-4-methylpentyl]-N-[(6Z,8Z)-2-methyl-1-oxo-6-[(Z)-prop-1-enyl]deca-6,8-dien-4-yl]-1,3-thiazole-4-carboxamide has a molecular weight of 659.88 g/mol, XLogP of 5.15, 19 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[[2-(1,3-azaphospholidine-2-carbonylamino)-3-methylpentanoyl]amino]-4-methylpentyl]-N-[(6Z,8Z)-2-methyl-1-oxo-6-[(Z)-prop-1-enyl]deca-6,8-dien-4-yl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 130425505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).