N-[2-(4-methyl-1,3-thiazol-2-yl)propyl]-2-spiro[6,7-dihydro-5H-imidazo[4,5-c]pyridine-4,4'-oxane]-1-ylacetamide

C19H27N5O2S — CID 138013751

IUPACN-[2-(4-methyl-1,3-thiazol-2-yl)propyl]-2-spiro[6,7-dihydro-5H-imidazo[4,5-c]pyridine-4,4'-oxane]-1-ylacetamide
SMILESCc1csc(C(C)CNC(=O)Cn2cnc3c2CCNC32CCOCC2)n1
InChIInChI=1S/C19H27N5O2S/c1-13(18-23-14(2)11-27-18)9-20-16(25)10-24-12-21-17-15(24)3-6-22-19(17)4-7-26-8-5-19/h11-13,22H,3-10H2,1-2H3,(H,20,25)
InChIKeyVCPPRHWYIOBRDM-UHFFFAOYSA-N
MW389.53 g/mol
LogP1.72
Rot. Bonds5

About N-[2-(4-methyl-1,3-thiazol-2-yl)propyl]-2-spiro[6,7-dihydro-5H-imidazo[4,5-c]pyridine-4,4'-oxane]-1-ylacetamide

N-[2-(4-methyl-1,3-thiazol-2-yl)propyl]-2-spiro[6,7-dihydro-5H-imidazo[4,5-c]pyridine-4,4'-oxane]-1-ylacetamide (PubChem CID 138013751) has the molecular formula C19H27N5O2S and a molecular weight of 389.53 g/mol. Its IUPAC name is N-[2-(4-methyl-1,3-thiazol-2-yl)propyl]-2-spiro[6,7-dihydro-5H-imidazo[4,5-c]pyridine-4,4'-oxane]-1-ylacetamide.

Molecular Properties

Compound NameN-[2-(4-methyl-1,3-thiazol-2-yl)propyl]-2-spiro[6,7-dihydro-5H-imidazo[4,5-c]pyridine-4,4'-oxane]-1-ylacetamide
PubChem CID138013751
Molecular FormulaC19H27N5O2S
Molecular Weight389.53 g/mol
Exact Mass389.19
IUPAC NameN-[2-(4-methyl-1,3-thiazol-2-yl)propyl]-2-spiro[6,7-dihydro-5H-imidazo[4,5-c]pyridine-4,4'-oxane]-1-ylacetamide
SMILESCc1csc(C(C)CNC(=O)Cn2cnc3c2CCNC32CCOCC2)n1
InChIInChI=1S/C19H27N5O2S/c1-13(18-23-14(2)11-27-18)9-20-16(25)10-24-12-21-17-15(24)3-6-22-19(17)4-7-26-8-5-19/h11-13,22H,3-10H2,1-2H3,(H,20,25)
InChIKeyVCPPRHWYIOBRDM-UHFFFAOYSA-N
XLogP1.72
TPSA81.07 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.53
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze N-[2-(4-methyl-1,3-thiazol-2-yl)propyl]-2-spiro[6,7-dihydro-5H-imidazo[4,5-c]pyridine-4,4'-oxane]-1-ylacetamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methyl-1,3-thiazol-2-yl)propyl]-2-spiro[6,7-dihydro-5H-imidazo[4,5-c]pyridine-4,4'-oxane]-1-ylacetamide?
The IUPAC name of N-[2-(4-methyl-1,3-thiazol-2-yl)propyl]-2-spiro[6,7-dihydro-5H-imidazo[4,5-c]pyridine-4,4'-oxane]-1-ylacetamide (CID 138013751) is N-[2-(4-methyl-1,3-thiazol-2-yl)propyl]-2-spiro[6,7-dihydro-5H-imidazo[4,5-c]pyridine-4,4'-oxane]-1-ylacetamide.
What is the SMILES notation for N-[2-(4-methyl-1,3-thiazol-2-yl)propyl]-2-spiro[6,7-dihydro-5H-imidazo[4,5-c]pyridine-4,4'-oxane]-1-ylacetamide?
The canonical SMILES for N-[2-(4-methyl-1,3-thiazol-2-yl)propyl]-2-spiro[6,7-dihydro-5H-imidazo[4,5-c]pyridine-4,4'-oxane]-1-ylacetamide is Cc1csc(C(C)CNC(=O)Cn2cnc3c2CCNC32CCOCC2)n1.
What is the InChIKey of N-[2-(4-methyl-1,3-thiazol-2-yl)propyl]-2-spiro[6,7-dihydro-5H-imidazo[4,5-c]pyridine-4,4'-oxane]-1-ylacetamide?
The InChIKey is VCPPRHWYIOBRDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N5O2S/c1-13(18-23-14(2)11-27-18)9-20-16(25)10-24-12-21-17-15(24)3-6-22-19(17)4-7-26-8-5-19/h11-13,22H,3-10H2,1-2H3,(H,20,25).
What are the key properties of N-[2-(4-methyl-1,3-thiazol-2-yl)propyl]-2-spiro[6,7-dihydro-5H-imidazo[4,5-c]pyridine-4,4'-oxane]-1-ylacetamide?
N-[2-(4-methyl-1,3-thiazol-2-yl)propyl]-2-spiro[6,7-dihydro-5H-imidazo[4,5-c]pyridine-4,4'-oxane]-1-ylacetamide has a molecular weight of 389.53 g/mol, XLogP of 1.72, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methyl-1,3-thiazol-2-yl)propyl]-2-spiro[6,7-dihydro-5H-imidazo[4,5-c]pyridine-4,4'-oxane]-1-ylacetamide is sourced from PubChem (CID 138013751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).