N-(3-imidazol-1-ylpropyl)-2-[2-methoxyethyl-(2-pyridin-2-ylacetyl)amino]-1,3-thiazole-5-carboxamide

C20H24N6O3S — CID 90012972

IUPACN-(3-imidazol-1-ylpropyl)-2-[2-methoxyethyl-(2-pyridin-2-ylacetyl)amino]-1,3-thiazole-5-carboxamide
SMILESCOCCN(C(=O)Cc1ccccn1)c1ncc(C(=O)NCCCn2ccnc2)s1
InChIInChI=1S/C20H24N6O3S/c1-29-12-11-26(18(27)13-16-5-2-3-6-22-16)20-24-14-17(30-20)19(28)23-7-4-9-25-10-8-21-15-25/h2-3,5-6,8,10,14-15H,4,7,9,11-13H2,1H3,(H,23,28)
InChIKeyASFSZJSFLCJMEB-UHFFFAOYSA-N
MW428.52 g/mol
LogP1.78
Rot. Bonds11

About N-(3-imidazol-1-ylpropyl)-2-[2-methoxyethyl-(2-pyridin-2-ylacetyl)amino]-1,3-thiazole-5-carboxamide

N-(3-imidazol-1-ylpropyl)-2-[2-methoxyethyl-(2-pyridin-2-ylacetyl)amino]-1,3-thiazole-5-carboxamide (PubChem CID 90012972) has the molecular formula C20H24N6O3S and a molecular weight of 428.52 g/mol. Its IUPAC name is N-(3-imidazol-1-ylpropyl)-2-[2-methoxyethyl-(2-pyridin-2-ylacetyl)amino]-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-(3-imidazol-1-ylpropyl)-2-[2-methoxyethyl-(2-pyridin-2-ylacetyl)amino]-1,3-thiazole-5-carboxamide
PubChem CID90012972
Molecular FormulaC20H24N6O3S
Molecular Weight428.52 g/mol
Exact Mass428.16
IUPAC NameN-(3-imidazol-1-ylpropyl)-2-[2-methoxyethyl-(2-pyridin-2-ylacetyl)amino]-1,3-thiazole-5-carboxamide
SMILESCOCCN(C(=O)Cc1ccccn1)c1ncc(C(=O)NCCCn2ccnc2)s1
InChIInChI=1S/C20H24N6O3S/c1-29-12-11-26(18(27)13-16-5-2-3-6-22-16)20-24-14-17(30-20)19(28)23-7-4-9-25-10-8-21-15-25/h2-3,5-6,8,10,14-15H,4,7,9,11-13H2,1H3,(H,23,28)
InChIKeyASFSZJSFLCJMEB-UHFFFAOYSA-N
XLogP1.78
TPSA102.24 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds11
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.52
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

N-(3-imidazol-1-ylpropyl)-2-pyridin-2-ylacetamide
CID 110468194
2-[2-(1,3-benzodioxol-5-yl)ethyl-(3-methoxypropanoyl)amino]-N-(3-imidazol-1-ylpropyl)-1,3-thiazole-5-carboxamide
CID 90013452
N-(3-imidazol-1-ylpropyl)-2-[3-methoxypropanoyl-[3-(2-oxopyrrolidin-1-yl)propyl]amino]-1,3-thiazole-5-carboxamide
CID 90012882
2-[(4-fluorophenyl)methyl-methylamino]-N-(3-imidazol-1-ylpropyl)-1,3-thiazole-5-carboxamide
CID 72545366
2-[cyclopropanecarbonyl(3-methylbutyl)amino]-N-(3-imidazol-1-ylpropyl)-1,3-thiazole-5-carboxamide
CID 90013024
N-[5-(3-imidazol-1-ylpropylcarbamoyl)-1,3-thiazol-2-yl]-N-(3-methylbutyl)-1,2-oxazole-5-carboxamide
CID 72547076
2-[[2-(3,6-dihydro-2H-pyridin-1-yl)acetyl]-[(4-fluorophenyl)methyl]amino]-N-(3-imidazol-1-ylpropyl)-1,3-thiazole-5-carboxamide
CID 72546332
2-[(4-fluorophenyl)methyl-[2-(4-prop-2-enylpiperazin-1-yl)acetyl]amino]-N-(3-imidazol-1-ylpropyl)-1,3-thiazole-5-carboxamide
CID 86763841
2-[(2,5-dichlorophenyl)methyl-[(4-fluorophenyl)methyl]amino]-N-(3-imidazol-1-ylpropyl)-1,3-thiazole-5-carboxamide
CID 72546097
1-(3-imidazol-1-ylpropyl)-2-methyl-3-(pyridin-2-ylmethyl)guanidine;hydroiodide
CID 110969415
2-amino-N-(3-imidazol-1-ylpropyl)-6-methoxybenzamide
CID 81420626
N-[(4-fluorophenyl)methyl]-N-[5-(3-imidazol-1-ylpropylcarbamoyl)-1,3-thiazol-2-yl]-2,2-dimethylmorpholine-4-carboxamide
CID 72544455

Frequently Asked Questions

What is the IUPAC name of N-(3-imidazol-1-ylpropyl)-2-[2-methoxyethyl-(2-pyridin-2-ylacetyl)amino]-1,3-thiazole-5-carboxamide?
The IUPAC name of N-(3-imidazol-1-ylpropyl)-2-[2-methoxyethyl-(2-pyridin-2-ylacetyl)amino]-1,3-thiazole-5-carboxamide (CID 90012972) is N-(3-imidazol-1-ylpropyl)-2-[2-methoxyethyl-(2-pyridin-2-ylacetyl)amino]-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-(3-imidazol-1-ylpropyl)-2-[2-methoxyethyl-(2-pyridin-2-ylacetyl)amino]-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-(3-imidazol-1-ylpropyl)-2-[2-methoxyethyl-(2-pyridin-2-ylacetyl)amino]-1,3-thiazole-5-carboxamide is COCCN(C(=O)Cc1ccccn1)c1ncc(C(=O)NCCCn2ccnc2)s1.
What is the InChIKey of N-(3-imidazol-1-ylpropyl)-2-[2-methoxyethyl-(2-pyridin-2-ylacetyl)amino]-1,3-thiazole-5-carboxamide?
The InChIKey is ASFSZJSFLCJMEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N6O3S/c1-29-12-11-26(18(27)13-16-5-2-3-6-22-16)20-24-14-17(30-20)19(28)23-7-4-9-25-10-8-21-15-25/h2-3,5-6,8,10,14-15H,4,7,9,11-13H2,1H3,(H,23,28).
What are the key properties of N-(3-imidazol-1-ylpropyl)-2-[2-methoxyethyl-(2-pyridin-2-ylacetyl)amino]-1,3-thiazole-5-carboxamide?
N-(3-imidazol-1-ylpropyl)-2-[2-methoxyethyl-(2-pyridin-2-ylacetyl)amino]-1,3-thiazole-5-carboxamide has a molecular weight of 428.52 g/mol, XLogP of 1.78, 11 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-imidazol-1-ylpropyl)-2-[2-methoxyethyl-(2-pyridin-2-ylacetyl)amino]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 90012972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).