methyl 5-[[2-(cyclopentylcarbamoylamino)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]methyl]furan-2-carboxylate

C19H24N4O4S — CID 90529584

IUPACmethyl 5-[[2-(cyclopentylcarbamoylamino)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]methyl]furan-2-carboxylate
SMILESCOC(=O)c1ccc(CN2CCc3nc(NC(=O)NC4CCCC4)sc3C2)o1
InChIInChI=1S/C19H24N4O4S/c1-26-17(24)15-7-6-13(27-15)10-23-9-8-14-16(11-23)28-19(21-14)22-18(25)20-12-4-2-3-5-12/h6-7,12H,2-5,8-11H2,1H3,(H2,20,21,22,25)
InChIKeyCGOLDFNTYSVXRZ-UHFFFAOYSA-N
MW404.49 g/mol
LogP3.15
Rot. Bonds5

About methyl 5-[[2-(cyclopentylcarbamoylamino)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]methyl]furan-2-carboxylate

methyl 5-[[2-(cyclopentylcarbamoylamino)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]methyl]furan-2-carboxylate (PubChem CID 90529584) has the molecular formula C19H24N4O4S and a molecular weight of 404.49 g/mol. Its IUPAC name is methyl 5-[[2-(cyclopentylcarbamoylamino)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]methyl]furan-2-carboxylate.

Molecular Properties

Compound Namemethyl 5-[[2-(cyclopentylcarbamoylamino)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]methyl]furan-2-carboxylate
PubChem CID90529584
Molecular FormulaC19H24N4O4S
Molecular Weight404.49 g/mol
Exact Mass404.15
IUPAC Namemethyl 5-[[2-(cyclopentylcarbamoylamino)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]methyl]furan-2-carboxylate
SMILESCOC(=O)c1ccc(CN2CCc3nc(NC(=O)NC4CCCC4)sc3C2)o1
InChIInChI=1S/C19H24N4O4S/c1-26-17(24)15-7-6-13(27-15)10-23-9-8-14-16(11-23)28-19(21-14)22-18(25)20-12-4-2-3-5-12/h6-7,12H,2-5,8-11H2,1H3,(H2,20,21,22,25)
InChIKeyCGOLDFNTYSVXRZ-UHFFFAOYSA-N
XLogP3.15
TPSA96.70 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.49
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze methyl 5-[[2-(cyclopentylcarbamoylamino)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]methyl]furan-2-carboxylate with MolForge

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Related Compounds

1-[5-[(4-chlorophenyl)methyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]-3-cyclopentylurea
CID 90529575
1-cyclopentyl-3-[5-[(4-fluorophenyl)methyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]urea
CID 90529572
1-cyclopentyl-3-[5-[(3-nitrophenyl)methyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]urea
CID 90529590
1-cyclopentyl-3-[5-[(2,4-dichlorophenyl)methyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]urea
CID 90529591
2-[2-(cyclopentylcarbamoylamino)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]-N-(2-methoxyethyl)acetamide
CID 90529561
methyl 4-[[2-(cyclopropanecarbonylamino)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]methyl]benzoate
CID 90525792
N-tert-butyl-2-[2-(cyclopentylcarbamoylamino)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]acetamide
CID 90529559
1-cyclopentyl-3-[5-[2-(3,4-dimethoxyphenyl)acetyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]urea
CID 90529385
2-[2-(cyclopentylcarbamoylamino)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]-N-propylacetamide
CID 90529556
methyl 4-[(2-acetamido-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl)methyl]benzoate
CID 90525321
1-cyclopentyl-3-[5-[(E)-3-phenylprop-2-enyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]urea
CID 90529478
2-[2-(cyclopentylcarbamoylamino)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]-N-(2,4-dimethylphenyl)acetamide
CID 90529497

Frequently Asked Questions

What is the IUPAC name of methyl 5-[[2-(cyclopentylcarbamoylamino)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]methyl]furan-2-carboxylate?
The IUPAC name of methyl 5-[[2-(cyclopentylcarbamoylamino)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]methyl]furan-2-carboxylate (CID 90529584) is methyl 5-[[2-(cyclopentylcarbamoylamino)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]methyl]furan-2-carboxylate.
What is the SMILES notation for methyl 5-[[2-(cyclopentylcarbamoylamino)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]methyl]furan-2-carboxylate?
The canonical SMILES for methyl 5-[[2-(cyclopentylcarbamoylamino)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]methyl]furan-2-carboxylate is COC(=O)c1ccc(CN2CCc3nc(NC(=O)NC4CCCC4)sc3C2)o1.
What is the InChIKey of methyl 5-[[2-(cyclopentylcarbamoylamino)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]methyl]furan-2-carboxylate?
The InChIKey is CGOLDFNTYSVXRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O4S/c1-26-17(24)15-7-6-13(27-15)10-23-9-8-14-16(11-23)28-19(21-14)22-18(25)20-12-4-2-3-5-12/h6-7,12H,2-5,8-11H2,1H3,(H2,20,21,22,25).
What are the key properties of methyl 5-[[2-(cyclopentylcarbamoylamino)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]methyl]furan-2-carboxylate?
methyl 5-[[2-(cyclopentylcarbamoylamino)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]methyl]furan-2-carboxylate has a molecular weight of 404.49 g/mol, XLogP of 3.15, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-[[2-(cyclopentylcarbamoylamino)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]methyl]furan-2-carboxylate is sourced from PubChem (CID 90529584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).