2-(2-aminoethyl)-4-[1-(4-chlorophenyl)cyclobutyl]-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridine-5-carboxylic acid

C19H22ClN3O2S — CID 66863640

IUPAC2-(2-aminoethyl)-4-[1-(4-chlorophenyl)cyclobutyl]-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridine-5-carboxylic acid
SMILESNCCc1nc2c(s1)CCN(C(=O)O)C2C1(c2ccc(Cl)cc2)CCC1
InChIInChI=1S/C19H22ClN3O2S/c20-13-4-2-12(3-5-13)19(8-1-9-19)17-16-14(7-11-23(17)18(24)25)26-15(22-16)6-10-21/h2-5,17H,1,6-11,21H2,(H,24,25)
InChIKeyQEGMPSJXWUASJQ-UHFFFAOYSA-N
MW391.92 g/mol
LogP4.00
Rot. Bonds4

About 2-(2-aminoethyl)-4-[1-(4-chlorophenyl)cyclobutyl]-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridine-5-carboxylic acid

2-(2-aminoethyl)-4-[1-(4-chlorophenyl)cyclobutyl]-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridine-5-carboxylic acid (PubChem CID 66863640) has the molecular formula C19H22ClN3O2S and a molecular weight of 391.92 g/mol. Its IUPAC name is 2-(2-aminoethyl)-4-[1-(4-chlorophenyl)cyclobutyl]-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridine-5-carboxylic acid.

Molecular Properties

Compound Name2-(2-aminoethyl)-4-[1-(4-chlorophenyl)cyclobutyl]-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridine-5-carboxylic acid
PubChem CID66863640
Molecular FormulaC19H22ClN3O2S
Molecular Weight391.92 g/mol
Exact Mass391.11
IUPAC Name2-(2-aminoethyl)-4-[1-(4-chlorophenyl)cyclobutyl]-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridine-5-carboxylic acid
SMILESNCCc1nc2c(s1)CCN(C(=O)O)C2C1(c2ccc(Cl)cc2)CCC1
InChIInChI=1S/C19H22ClN3O2S/c20-13-4-2-12(3-5-13)19(8-1-9-19)17-16-14(7-11-23(17)18(24)25)26-15(22-16)6-10-21/h2-5,17H,1,6-11,21H2,(H,24,25)
InChIKeyQEGMPSJXWUASJQ-UHFFFAOYSA-N
XLogP4.00
TPSA79.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.92
LogP ≤ 54.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-aminoethyl)-7-[1-(4-chlorophenyl)cyclobutyl]-5,7-dihydro-4H-pyrazolo[3,4-c]pyridine-6-carboxylic acid
CID 66863422
tert-butyl 2-(3-aminopropyl)-4-[(4-chlorophenyl)methyl]-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridine-5-carboxylate
CID 58101307
tert-butyl 2-(2-aminoethyl)-7-[1-(4-chlorophenyl)cyclobutyl]-5,7-dihydro-4H-pyrazolo[3,4-c]pyridine-6-carboxylate
CID 58101279
2-(5-benzyl-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-2-yl)ethanamine
CID 83851705
1-(4-chlorophenyl)-N-(5-ethyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)cyclobutane-1-carboxamide
CID 78772896
1-[1-(4-chlorophenyl)cyclobutyl]-2-methyl-3,4-dihydro-1H-isoquinoline-6,7-diol;hydrobromide
CID 22406884
[1-(aminomethyl)cyclobutyl]-(4-chlorophenyl)methanone
CID 116600291
2-[5-(4-chlorophenyl)-4-methyl-1,3-thiazol-2-yl]ethanamine
CID 39356185
[2-(2-aminoethyl)-1,3-thiazol-4-yl]-[4-(4-chlorophenyl)piperazin-1-yl]methanone;dihydrochloride
CID 120641393
4-(aminomethyl)-4-(6-chloro-2-pyridinyl)piperidine-1-carboxylic acid
CID 87152500
[2-(2-aminoethyl)-1,3-thiazol-4-yl]-[3-(4-chlorophenyl)thiomorpholin-4-yl]methanone
CID 120634300
3-amino-1-(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propan-1-one;hydrochloride
CID 119294012

Frequently Asked Questions

What is the IUPAC name of 2-(2-aminoethyl)-4-[1-(4-chlorophenyl)cyclobutyl]-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridine-5-carboxylic acid?
The IUPAC name of 2-(2-aminoethyl)-4-[1-(4-chlorophenyl)cyclobutyl]-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridine-5-carboxylic acid (CID 66863640) is 2-(2-aminoethyl)-4-[1-(4-chlorophenyl)cyclobutyl]-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridine-5-carboxylic acid.
What is the SMILES notation for 2-(2-aminoethyl)-4-[1-(4-chlorophenyl)cyclobutyl]-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridine-5-carboxylic acid?
The canonical SMILES for 2-(2-aminoethyl)-4-[1-(4-chlorophenyl)cyclobutyl]-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridine-5-carboxylic acid is NCCc1nc2c(s1)CCN(C(=O)O)C2C1(c2ccc(Cl)cc2)CCC1.
What is the InChIKey of 2-(2-aminoethyl)-4-[1-(4-chlorophenyl)cyclobutyl]-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridine-5-carboxylic acid?
The InChIKey is QEGMPSJXWUASJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22ClN3O2S/c20-13-4-2-12(3-5-13)19(8-1-9-19)17-16-14(7-11-23(17)18(24)25)26-15(22-16)6-10-21/h2-5,17H,1,6-11,21H2,(H,24,25).
What are the key properties of 2-(2-aminoethyl)-4-[1-(4-chlorophenyl)cyclobutyl]-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridine-5-carboxylic acid?
2-(2-aminoethyl)-4-[1-(4-chlorophenyl)cyclobutyl]-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridine-5-carboxylic acid has a molecular weight of 391.92 g/mol, XLogP of 4.00, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminoethyl)-4-[1-(4-chlorophenyl)cyclobutyl]-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridine-5-carboxylic acid is sourced from PubChem (CID 66863640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).