butyl 2-[(2-aminophenyl)carbamoyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxylate

C18H22N4O3S — CID 66864881

IUPACbutyl 2-[(2-aminophenyl)carbamoyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxylate
SMILESCCCCOC(=O)N1CCc2nc(C(=O)Nc3ccccc3N)sc2C1
InChIInChI=1S/C18H22N4O3S/c1-2-3-10-25-18(24)22-9-8-14-15(11-22)26-17(21-14)16(23)20-13-7-5-4-6-12(13)19/h4-7H,2-3,8-11,19H2,1H3,(H,20,23)
InChIKeyQJSYYTNKEOBVLQ-UHFFFAOYSA-N
MW374.47 g/mol
LogP3.27
Rot. Bonds5

About butyl 2-[(2-aminophenyl)carbamoyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxylate

butyl 2-[(2-aminophenyl)carbamoyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxylate (PubChem CID 66864881) has the molecular formula C18H22N4O3S and a molecular weight of 374.47 g/mol. Its IUPAC name is butyl 2-[(2-aminophenyl)carbamoyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxylate.

Molecular Properties

Compound Namebutyl 2-[(2-aminophenyl)carbamoyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxylate
PubChem CID66864881
Molecular FormulaC18H22N4O3S
Molecular Weight374.47 g/mol
Exact Mass374.14
IUPAC Namebutyl 2-[(2-aminophenyl)carbamoyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxylate
SMILESCCCCOC(=O)N1CCc2nc(C(=O)Nc3ccccc3N)sc2C1
InChIInChI=1S/C18H22N4O3S/c1-2-3-10-25-18(24)22-9-8-14-15(11-22)26-17(21-14)16(23)20-13-7-5-4-6-12(13)19/h4-7H,2-3,8-11,19H2,1H3,(H,20,23)
InChIKeyQJSYYTNKEOBVLQ-UHFFFAOYSA-N
XLogP3.27
TPSA97.55 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.47
LogP ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

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
N-(2-aminophenyl)-5-[(Z)-1-chloro-2-nitroethenyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide
CID 58117026
N-(2-aminophenyl)-5-benzylsulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide
CID 25231103
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-aminophenyl)-5-[(Z)-1-[4-(dimethylamino)anilino]-2-nitroethenyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide
CID 66864090
N-(2-amino-5-methoxyphenyl)-5-[(4-methoxyphenyl)carbamothioyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide
CID 87183312
butyl 2-phenyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxylate
CID 72863884
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
3-[[2-[(2-aminophenyl)carbamoyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]sulfonyl]-3-methyl-2H-thiophene-2-carboxylic acid
CID 89179129
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
ethyl 2-pyridin-4-yl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxylate
CID 68644063
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

Frequently Asked Questions

What is the IUPAC name of butyl 2-[(2-aminophenyl)carbamoyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxylate?
The IUPAC name of butyl 2-[(2-aminophenyl)carbamoyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxylate (CID 66864881) is butyl 2-[(2-aminophenyl)carbamoyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxylate.
What is the SMILES notation for butyl 2-[(2-aminophenyl)carbamoyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxylate?
The canonical SMILES for butyl 2-[(2-aminophenyl)carbamoyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxylate is CCCCOC(=O)N1CCc2nc(C(=O)Nc3ccccc3N)sc2C1.
What is the InChIKey of butyl 2-[(2-aminophenyl)carbamoyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxylate?
The InChIKey is QJSYYTNKEOBVLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O3S/c1-2-3-10-25-18(24)22-9-8-14-15(11-22)26-17(21-14)16(23)20-13-7-5-4-6-12(13)19/h4-7H,2-3,8-11,19H2,1H3,(H,20,23).
What are the key properties of butyl 2-[(2-aminophenyl)carbamoyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxylate?
butyl 2-[(2-aminophenyl)carbamoyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxylate has a molecular weight of 374.47 g/mol, XLogP of 3.27, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for butyl 2-[(2-aminophenyl)carbamoyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxylate is sourced from PubChem (CID 66864881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).