5-[[4-[5-(dimethylamino)-5-oxopentyl]benzoyl]amino]-2-pyridin-4-yl-1,3-thiazole-4-carboxamide

C23H25N5O3S — CID 71060796

IUPAC5-[[4-[5-(dimethylamino)-5-oxopentyl]benzoyl]amino]-2-pyridin-4-yl-1,3-thiazole-4-carboxamide
SMILESCN(C)C(=O)CCCCc1ccc(C(=O)Nc2sc(-c3ccncc3)nc2C(N)=O)cc1
InChIInChI=1S/C23H25N5O3S/c1-28(2)18(29)6-4-3-5-15-7-9-16(10-8-15)21(31)27-23-19(20(24)30)26-22(32-23)17-11-13-25-14-12-17/h7-14H,3-6H2,1-2H3,(H2,24,30)(H,27,31)
InChIKeyQDXLPWWWRXWAMB-UHFFFAOYSA-N
MW451.55 g/mol
LogP3.36
Rot. Bonds9

About 5-[[4-[5-(dimethylamino)-5-oxopentyl]benzoyl]amino]-2-pyridin-4-yl-1,3-thiazole-4-carboxamide

5-[[4-[5-(dimethylamino)-5-oxopentyl]benzoyl]amino]-2-pyridin-4-yl-1,3-thiazole-4-carboxamide (PubChem CID 71060796) has the molecular formula C23H25N5O3S and a molecular weight of 451.55 g/mol. Its IUPAC name is 5-[[4-[5-(dimethylamino)-5-oxopentyl]benzoyl]amino]-2-pyridin-4-yl-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name5-[[4-[5-(dimethylamino)-5-oxopentyl]benzoyl]amino]-2-pyridin-4-yl-1,3-thiazole-4-carboxamide
PubChem CID71060796
Molecular FormulaC23H25N5O3S
Molecular Weight451.55 g/mol
Exact Mass451.17
IUPAC Name5-[[4-[5-(dimethylamino)-5-oxopentyl]benzoyl]amino]-2-pyridin-4-yl-1,3-thiazole-4-carboxamide
SMILESCN(C)C(=O)CCCCc1ccc(C(=O)Nc2sc(-c3ccncc3)nc2C(N)=O)cc1
InChIInChI=1S/C23H25N5O3S/c1-28(2)18(29)6-4-3-5-15-7-9-16(10-8-15)21(31)27-23-19(20(24)30)26-22(32-23)17-11-13-25-14-12-17/h7-14H,3-6H2,1-2H3,(H2,24,30)(H,27,31)
InChIKeyQDXLPWWWRXWAMB-UHFFFAOYSA-N
XLogP3.36
TPSA118.28 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.55
LogP ≤ 53.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-[[4-[5-(dimethylamino)-5-oxopentyl]benzoyl]amino]-2-pyridin-4-yl-1,3-thiazole-4-carboxamide?
The IUPAC name of 5-[[4-[5-(dimethylamino)-5-oxopentyl]benzoyl]amino]-2-pyridin-4-yl-1,3-thiazole-4-carboxamide (CID 71060796) is 5-[[4-[5-(dimethylamino)-5-oxopentyl]benzoyl]amino]-2-pyridin-4-yl-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 5-[[4-[5-(dimethylamino)-5-oxopentyl]benzoyl]amino]-2-pyridin-4-yl-1,3-thiazole-4-carboxamide?
The canonical SMILES for 5-[[4-[5-(dimethylamino)-5-oxopentyl]benzoyl]amino]-2-pyridin-4-yl-1,3-thiazole-4-carboxamide is CN(C)C(=O)CCCCc1ccc(C(=O)Nc2sc(-c3ccncc3)nc2C(N)=O)cc1.
What is the InChIKey of 5-[[4-[5-(dimethylamino)-5-oxopentyl]benzoyl]amino]-2-pyridin-4-yl-1,3-thiazole-4-carboxamide?
The InChIKey is QDXLPWWWRXWAMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N5O3S/c1-28(2)18(29)6-4-3-5-15-7-9-16(10-8-15)21(31)27-23-19(20(24)30)26-22(32-23)17-11-13-25-14-12-17/h7-14H,3-6H2,1-2H3,(H2,24,30)(H,27,31).
What are the key properties of 5-[[4-[5-(dimethylamino)-5-oxopentyl]benzoyl]amino]-2-pyridin-4-yl-1,3-thiazole-4-carboxamide?
5-[[4-[5-(dimethylamino)-5-oxopentyl]benzoyl]amino]-2-pyridin-4-yl-1,3-thiazole-4-carboxamide has a molecular weight of 451.55 g/mol, XLogP of 3.36, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[4-[5-(dimethylamino)-5-oxopentyl]benzoyl]amino]-2-pyridin-4-yl-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 71060796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).