N-[5-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propanoyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]cyclopropanecarboxamide

C18H22N4O3S — CID 90525475

IUPACN-[5-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propanoyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]cyclopropanecarboxamide
SMILESCc1noc(C)c1CCC(=O)N1CCc2nc(NC(=O)C3CC3)sc2C1
InChIInChI=1S/C18H22N4O3S/c1-10-13(11(2)25-21-10)5-6-16(23)22-8-7-14-15(9-22)26-18(19-14)20-17(24)12-3-4-12/h12H,3-9H2,1-2H3,(H,19,20,24)
InChIKeyAHBMILLAJRSCGH-UHFFFAOYSA-N
MW374.47 g/mol
LogP2.61
Rot. Bonds5

About N-[5-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propanoyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]cyclopropanecarboxamide

N-[5-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propanoyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]cyclopropanecarboxamide (PubChem CID 90525475) has the molecular formula C18H22N4O3S and a molecular weight of 374.47 g/mol. Its IUPAC name is N-[5-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propanoyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[5-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propanoyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]cyclopropanecarboxamide
PubChem CID90525475
Molecular FormulaC18H22N4O3S
Molecular Weight374.47 g/mol
Exact Mass374.14
IUPAC NameN-[5-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propanoyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]cyclopropanecarboxamide
SMILESCc1noc(C)c1CCC(=O)N1CCc2nc(NC(=O)C3CC3)sc2C1
InChIInChI=1S/C18H22N4O3S/c1-10-13(11(2)25-21-10)5-6-16(23)22-8-7-14-15(9-22)26-18(19-14)20-17(24)12-3-4-12/h12H,3-9H2,1-2H3,(H,19,20,24)
InChIKeyAHBMILLAJRSCGH-UHFFFAOYSA-N
XLogP2.61
TPSA88.33 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.47
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[5-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propanoyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]cyclopropanecarboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[5-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propanoyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]cyclopropanecarboxamide?
The IUPAC name of N-[5-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propanoyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]cyclopropanecarboxamide (CID 90525475) is N-[5-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propanoyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]cyclopropanecarboxamide.
What is the SMILES notation for N-[5-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propanoyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]cyclopropanecarboxamide?
The canonical SMILES for N-[5-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propanoyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]cyclopropanecarboxamide is Cc1noc(C)c1CCC(=O)N1CCc2nc(NC(=O)C3CC3)sc2C1.
What is the InChIKey of N-[5-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propanoyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]cyclopropanecarboxamide?
The InChIKey is AHBMILLAJRSCGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O3S/c1-10-13(11(2)25-21-10)5-6-16(23)22-8-7-14-15(9-22)26-18(19-14)20-17(24)12-3-4-12/h12H,3-9H2,1-2H3,(H,19,20,24).
What are the key properties of N-[5-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propanoyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]cyclopropanecarboxamide?
N-[5-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propanoyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]cyclopropanecarboxamide has a molecular weight of 374.47 g/mol, XLogP of 2.61, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propanoyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]cyclopropanecarboxamide is sourced from PubChem (CID 90525475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).