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

C22H23N5O3S — CID 71060943

IUPAC5-[[4-[5-(methylamino)-5-oxopentyl]benzoyl]amino]-2-pyridin-4-yl-1,3-thiazole-4-carboxamide
SMILESCNC(=O)CCCCc1ccc(C(=O)Nc2sc(-c3ccncc3)nc2C(N)=O)cc1
InChIInChI=1S/C22H23N5O3S/c1-24-17(28)5-3-2-4-14-6-8-15(9-7-14)20(30)27-22-18(19(23)29)26-21(31-22)16-10-12-25-13-11-16/h6-13H,2-5H2,1H3,(H2,23,29)(H,24,28)(H,27,30)
InChIKeyHCQXSCFIAHRRAF-UHFFFAOYSA-N
MW437.53 g/mol
LogP3.02
Rot. Bonds9

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

5-[[4-[5-(methylamino)-5-oxopentyl]benzoyl]amino]-2-pyridin-4-yl-1,3-thiazole-4-carboxamide (PubChem CID 71060943) has the molecular formula C22H23N5O3S and a molecular weight of 437.53 g/mol. Its IUPAC name is 5-[[4-[5-(methylamino)-5-oxopentyl]benzoyl]amino]-2-pyridin-4-yl-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name5-[[4-[5-(methylamino)-5-oxopentyl]benzoyl]amino]-2-pyridin-4-yl-1,3-thiazole-4-carboxamide
PubChem CID71060943
Molecular FormulaC22H23N5O3S
Molecular Weight437.53 g/mol
Exact Mass437.15
IUPAC Name5-[[4-[5-(methylamino)-5-oxopentyl]benzoyl]amino]-2-pyridin-4-yl-1,3-thiazole-4-carboxamide
SMILESCNC(=O)CCCCc1ccc(C(=O)Nc2sc(-c3ccncc3)nc2C(N)=O)cc1
InChIInChI=1S/C22H23N5O3S/c1-24-17(28)5-3-2-4-14-6-8-15(9-7-14)20(30)27-22-18(19(23)29)26-21(31-22)16-10-12-25-13-11-16/h6-13H,2-5H2,1H3,(H2,23,29)(H,24,28)(H,27,30)
InChIKeyHCQXSCFIAHRRAF-UHFFFAOYSA-N
XLogP3.02
TPSA127.07 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.53
LogP ≤ 53.02
H-Bond Donors ≤ 53
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-(methylamino)-5-oxopentyl]benzoyl]amino]-2-pyridin-4-yl-1,3-thiazole-4-carboxamide?
The IUPAC name of 5-[[4-[5-(methylamino)-5-oxopentyl]benzoyl]amino]-2-pyridin-4-yl-1,3-thiazole-4-carboxamide (CID 71060943) is 5-[[4-[5-(methylamino)-5-oxopentyl]benzoyl]amino]-2-pyridin-4-yl-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 5-[[4-[5-(methylamino)-5-oxopentyl]benzoyl]amino]-2-pyridin-4-yl-1,3-thiazole-4-carboxamide?
The canonical SMILES for 5-[[4-[5-(methylamino)-5-oxopentyl]benzoyl]amino]-2-pyridin-4-yl-1,3-thiazole-4-carboxamide is CNC(=O)CCCCc1ccc(C(=O)Nc2sc(-c3ccncc3)nc2C(N)=O)cc1.
What is the InChIKey of 5-[[4-[5-(methylamino)-5-oxopentyl]benzoyl]amino]-2-pyridin-4-yl-1,3-thiazole-4-carboxamide?
The InChIKey is HCQXSCFIAHRRAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N5O3S/c1-24-17(28)5-3-2-4-14-6-8-15(9-7-14)20(30)27-22-18(19(23)29)26-21(31-22)16-10-12-25-13-11-16/h6-13H,2-5H2,1H3,(H2,23,29)(H,24,28)(H,27,30).
What are the key properties of 5-[[4-[5-(methylamino)-5-oxopentyl]benzoyl]amino]-2-pyridin-4-yl-1,3-thiazole-4-carboxamide?
5-[[4-[5-(methylamino)-5-oxopentyl]benzoyl]amino]-2-pyridin-4-yl-1,3-thiazole-4-carboxamide has a molecular weight of 437.53 g/mol, XLogP of 3.02, 9 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[4-[5-(methylamino)-5-oxopentyl]benzoyl]amino]-2-pyridin-4-yl-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 71060943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).