1-(4-chlorophenyl)-N-(5-ethyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)cyclobutane-1-carboxamide

C19H22ClN3OS — CID 78772896

IUPAC1-(4-chlorophenyl)-N-(5-ethyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)cyclobutane-1-carboxamide
SMILESCCN1CCc2nc(NC(=O)C3(c4ccc(Cl)cc4)CCC3)sc2C1
InChIInChI=1S/C19H22ClN3OS/c1-2-23-11-8-15-16(12-23)25-18(21-15)22-17(24)19(9-3-10-19)13-4-6-14(20)7-5-13/h4-7H,2-3,8-12H2,1H3,(H,21,22,24)
InChIKeyZMZMXJCMXBULOT-UHFFFAOYSA-N
MW375.93 g/mol
LogP4.23
Rot. Bonds4

About 1-(4-chlorophenyl)-N-(5-ethyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)cyclobutane-1-carboxamide

1-(4-chlorophenyl)-N-(5-ethyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)cyclobutane-1-carboxamide (PubChem CID 78772896) has the molecular formula C19H22ClN3OS and a molecular weight of 375.93 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-N-(5-ethyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)cyclobutane-1-carboxamide.

Molecular Properties

Compound Name1-(4-chlorophenyl)-N-(5-ethyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)cyclobutane-1-carboxamide
PubChem CID78772896
Molecular FormulaC19H22ClN3OS
Molecular Weight375.93 g/mol
Exact Mass375.12
IUPAC Name1-(4-chlorophenyl)-N-(5-ethyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)cyclobutane-1-carboxamide
SMILESCCN1CCc2nc(NC(=O)C3(c4ccc(Cl)cc4)CCC3)sc2C1
InChIInChI=1S/C19H22ClN3OS/c1-2-23-11-8-15-16(12-23)25-18(21-15)22-17(24)19(9-3-10-19)13-4-6-14(20)7-5-13/h4-7H,2-3,8-12H2,1H3,(H,21,22,24)
InChIKeyZMZMXJCMXBULOT-UHFFFAOYSA-N
XLogP4.23
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.93
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(5-ethyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-1-phenylcyclobutane-1-carboxamide
CID 78840788
1-(4-chlorophenyl)-N-(5-propan-2-ylsulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)cyclopentane-1-carboxamide
CID 90532772
1-amino-N-(5-ethyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)cyclopentane-1-carboxamide;dihydrochloride
CID 119828524
2-(3,4-dichlorophenyl)-N-(5-ethyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)acetamide
CID 2467084
2-(2,6-dichlorophenyl)-N-(5-ethyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)acetamide
CID 29412832
N-(5-ethyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-3-(4-methylphenyl)propanamide
CID 29413371
N-(5-ethyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide
CID 86976942
4-chloro-N-(5-ethyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-1-methylpyrrole-2-carboxamide
CID 29413278
N-(5-ethyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-2-(4-phenylphenyl)acetamide
CID 29412794
1-(3-chlorophenyl)-N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)cyclopropane-1-carboxamide
CID 56811384
N-(5-benzyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-4-(3-chlorophenyl)oxane-4-carboxamide
CID 55997942
N-[5-[1-(4-chlorophenyl)cyclopentanecarbonyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]thiophene-2-carboxamide
CID 90526994

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-N-(5-ethyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)cyclobutane-1-carboxamide?
The IUPAC name of 1-(4-chlorophenyl)-N-(5-ethyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)cyclobutane-1-carboxamide (CID 78772896) is 1-(4-chlorophenyl)-N-(5-ethyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)cyclobutane-1-carboxamide.
What is the SMILES notation for 1-(4-chlorophenyl)-N-(5-ethyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)cyclobutane-1-carboxamide?
The canonical SMILES for 1-(4-chlorophenyl)-N-(5-ethyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)cyclobutane-1-carboxamide is CCN1CCc2nc(NC(=O)C3(c4ccc(Cl)cc4)CCC3)sc2C1.
What is the InChIKey of 1-(4-chlorophenyl)-N-(5-ethyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)cyclobutane-1-carboxamide?
The InChIKey is ZMZMXJCMXBULOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22ClN3OS/c1-2-23-11-8-15-16(12-23)25-18(21-15)22-17(24)19(9-3-10-19)13-4-6-14(20)7-5-13/h4-7H,2-3,8-12H2,1H3,(H,21,22,24).
What are the key properties of 1-(4-chlorophenyl)-N-(5-ethyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)cyclobutane-1-carboxamide?
1-(4-chlorophenyl)-N-(5-ethyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)cyclobutane-1-carboxamide has a molecular weight of 375.93 g/mol, XLogP of 4.23, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-N-(5-ethyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)cyclobutane-1-carboxamide is sourced from PubChem (CID 78772896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).