N-(2-amino-5-methoxyphenyl)-5-[2-(butylamino)-2-oxoacetyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide

C20H25N5O4S — CID 66864107

IUPACN-(2-amino-5-methoxyphenyl)-5-[2-(butylamino)-2-oxoacetyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide
SMILESCCCCNC(=O)C(=O)N1CCc2nc(C(=O)Nc3cc(OC)ccc3N)sc2C1
InChIInChI=1S/C20H25N5O4S/c1-3-4-8-22-18(27)20(28)25-9-7-14-16(11-25)30-19(24-14)17(26)23-15-10-12(29-2)5-6-13(15)21/h5-6,10H,3-4,7-9,11,21H2,1-2H3,(H,22,27)(H,23,26)
InChIKeyAFVWSIWYPZZDCV-UHFFFAOYSA-N
MW431.52 g/mol
LogP1.79
Rot. Bonds6

About N-(2-amino-5-methoxyphenyl)-5-[2-(butylamino)-2-oxoacetyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide

N-(2-amino-5-methoxyphenyl)-5-[2-(butylamino)-2-oxoacetyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide (PubChem CID 66864107) has the molecular formula C20H25N5O4S and a molecular weight of 431.52 g/mol. Its IUPAC name is N-(2-amino-5-methoxyphenyl)-5-[2-(butylamino)-2-oxoacetyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-(2-amino-5-methoxyphenyl)-5-[2-(butylamino)-2-oxoacetyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide
PubChem CID66864107
Molecular FormulaC20H25N5O4S
Molecular Weight431.52 g/mol
Exact Mass431.16
IUPAC NameN-(2-amino-5-methoxyphenyl)-5-[2-(butylamino)-2-oxoacetyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide
SMILESCCCCNC(=O)C(=O)N1CCc2nc(C(=O)Nc3cc(OC)ccc3N)sc2C1
InChIInChI=1S/C20H25N5O4S/c1-3-4-8-22-18(27)20(28)25-9-7-14-16(11-25)30-19(24-14)17(26)23-15-10-12(29-2)5-6-13(15)21/h5-6,10H,3-4,7-9,11,21H2,1-2H3,(H,22,27)(H,23,26)
InChIKeyAFVWSIWYPZZDCV-UHFFFAOYSA-N
XLogP1.79
TPSA126.65 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.52
LogP ≤ 51.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

N-(2-amino-5-methoxyphenyl)-5-[(4-methoxyphenyl)carbamothioyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide
CID 87183312
N-(2-amino-5-methoxyphenyl)-5-(4-methoxyphenyl)sulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide
CID 66864913
N-(2-amino-5-methoxyphenyl)-5-[1-(4-methoxyanilino)-2-nitroethenyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide
CID 66864018
butyl 2-[(2-aminophenyl)carbamoyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxylate
CID 66864881
N-(2-amino-5-propan-2-ylphenyl)-5-[(4-methoxyphenyl)carbamothioyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide
CID 87183151
N-(2-amino-5-propylphenyl)-5-[N-(4-methoxyphenyl)-C-(nitromethyl)carbonimidoyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide
CID 91311953
2-N-(2-amino-5-thiophen-3-ylphenyl)-5-N-(4-methoxyphenyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2,5-dicarboxamide
CID 66865016
2-N-(3,4-dimethoxyphenyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2,5-dicarboxamide
CID 66864763
ethyl N-[5-[(2,4-dimethoxyphenyl)carbamoyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]carbamate
CID 90528151
N-(2-aminophenyl)-5-[N-(3,4-dimethoxyphenyl)-C-(nitromethyl)carbonimidoyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide
CID 91257443
N-(2-amino-5-propan-2-ylphenyl)-5-[(E)-2-nitro-1-(4-propan-2-ylanilino)ethenyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide
CID 25231100
N-[2-[(4-chlorophenyl)carbamoyl]-4-methoxyphenyl]-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide
CID 155533938

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-5-methoxyphenyl)-5-[2-(butylamino)-2-oxoacetyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide?
The IUPAC name of N-(2-amino-5-methoxyphenyl)-5-[2-(butylamino)-2-oxoacetyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide (CID 66864107) is N-(2-amino-5-methoxyphenyl)-5-[2-(butylamino)-2-oxoacetyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide.
What is the SMILES notation for N-(2-amino-5-methoxyphenyl)-5-[2-(butylamino)-2-oxoacetyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide?
The canonical SMILES for N-(2-amino-5-methoxyphenyl)-5-[2-(butylamino)-2-oxoacetyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide is CCCCNC(=O)C(=O)N1CCc2nc(C(=O)Nc3cc(OC)ccc3N)sc2C1.
What is the InChIKey of N-(2-amino-5-methoxyphenyl)-5-[2-(butylamino)-2-oxoacetyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide?
The InChIKey is AFVWSIWYPZZDCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N5O4S/c1-3-4-8-22-18(27)20(28)25-9-7-14-16(11-25)30-19(24-14)17(26)23-15-10-12(29-2)5-6-13(15)21/h5-6,10H,3-4,7-9,11,21H2,1-2H3,(H,22,27)(H,23,26).
What are the key properties of N-(2-amino-5-methoxyphenyl)-5-[2-(butylamino)-2-oxoacetyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide?
N-(2-amino-5-methoxyphenyl)-5-[2-(butylamino)-2-oxoacetyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide has a molecular weight of 431.52 g/mol, XLogP of 1.79, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-5-methoxyphenyl)-5-[2-(butylamino)-2-oxoacetyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide is sourced from PubChem (CID 66864107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).