N-[5-[2-(cyclopropylamino)-2-oxoethyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]cyclobutanecarboxamide

C16H22N4O2S — CID 90531346

IUPACN-[5-[2-(cyclopropylamino)-2-oxoethyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]cyclobutanecarboxamide
SMILESO=C(CN1CCc2nc(NC(=O)C3CCC3)sc2C1)NC1CC1
InChIInChI=1S/C16H22N4O2S/c21-14(17-11-4-5-11)9-20-7-6-12-13(8-20)23-16(18-12)19-15(22)10-2-1-3-10/h10-11H,1-9H2,(H,17,21)(H,18,19,22)
InChIKeyMOGFJOWIYUAVTQ-UHFFFAOYSA-N
MW334.45 g/mol
LogP1.52
Rot. Bonds5

About N-[5-[2-(cyclopropylamino)-2-oxoethyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]cyclobutanecarboxamide

N-[5-[2-(cyclopropylamino)-2-oxoethyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]cyclobutanecarboxamide (PubChem CID 90531346) has the molecular formula C16H22N4O2S and a molecular weight of 334.45 g/mol. Its IUPAC name is N-[5-[2-(cyclopropylamino)-2-oxoethyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]cyclobutanecarboxamide.

Molecular Properties

Compound NameN-[5-[2-(cyclopropylamino)-2-oxoethyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]cyclobutanecarboxamide
PubChem CID90531346
Molecular FormulaC16H22N4O2S
Molecular Weight334.45 g/mol
Exact Mass334.15
IUPAC NameN-[5-[2-(cyclopropylamino)-2-oxoethyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]cyclobutanecarboxamide
SMILESO=C(CN1CCc2nc(NC(=O)C3CCC3)sc2C1)NC1CC1
InChIInChI=1S/C16H22N4O2S/c21-14(17-11-4-5-11)9-20-7-6-12-13(8-20)23-16(18-12)19-15(22)10-2-1-3-10/h10-11H,1-9H2,(H,17,21)(H,18,19,22)
InChIKeyMOGFJOWIYUAVTQ-UHFFFAOYSA-N
XLogP1.52
TPSA74.33 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.45
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[5-[2-(2,4-dimethylanilino)-2-oxoethyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]cyclobutanecarboxamide
CID 90531275
N-[5-[2-(3-chloro-4-fluoroanilino)-2-oxoethyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]cyclobutanecarboxamide
CID 90531343
N-tert-butyl-2-[2-(cyclopentylcarbamoylamino)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]acetamide
CID 90529559
2-[2-(cyclopentylcarbamoylamino)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]-N-propylacetamide
CID 90529556
N-[5-(naphthalen-1-ylmethyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]cyclobutanecarboxamide
CID 90531362
N-[5-[(3,4-dichlorophenyl)methyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]cyclobutanecarboxamide
CID 90531360
N-(5-propanoyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)cyclobutanecarboxamide
CID 90531074
N-[5-[2-(furan-2-ylmethylamino)-2-oxoethyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]cyclopropanecarboxamide
CID 90525745
N-[5-(cyclohexanecarbonyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]cyclobutanecarboxamide
CID 90531084
N-[5-[2-(ethylamino)-2-oxoethyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]oxolane-2-carboxamide
CID 90526234
2-[2-(cyclopentylcarbamoylamino)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]-N-(2-methoxyethyl)acetamide
CID 90529561
N-[5-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]cyclopropanecarboxamide
CID 90525763

Frequently Asked Questions

What is the IUPAC name of N-[5-[2-(cyclopropylamino)-2-oxoethyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]cyclobutanecarboxamide?
The IUPAC name of N-[5-[2-(cyclopropylamino)-2-oxoethyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]cyclobutanecarboxamide (CID 90531346) is N-[5-[2-(cyclopropylamino)-2-oxoethyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]cyclobutanecarboxamide.
What is the SMILES notation for N-[5-[2-(cyclopropylamino)-2-oxoethyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]cyclobutanecarboxamide?
The canonical SMILES for N-[5-[2-(cyclopropylamino)-2-oxoethyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]cyclobutanecarboxamide is O=C(CN1CCc2nc(NC(=O)C3CCC3)sc2C1)NC1CC1.
What is the InChIKey of N-[5-[2-(cyclopropylamino)-2-oxoethyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]cyclobutanecarboxamide?
The InChIKey is MOGFJOWIYUAVTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O2S/c21-14(17-11-4-5-11)9-20-7-6-12-13(8-20)23-16(18-12)19-15(22)10-2-1-3-10/h10-11H,1-9H2,(H,17,21)(H,18,19,22).
What are the key properties of N-[5-[2-(cyclopropylamino)-2-oxoethyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]cyclobutanecarboxamide?
N-[5-[2-(cyclopropylamino)-2-oxoethyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]cyclobutanecarboxamide has a molecular weight of 334.45 g/mol, XLogP of 1.52, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[2-(cyclopropylamino)-2-oxoethyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]cyclobutanecarboxamide is sourced from PubChem (CID 90531346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).