methyl N-[5-[2-(4-methoxyphenyl)ethylcarbamoyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]carbamate

C18H22N4O4S — CID 90529146

IUPACmethyl N-[5-[2-(4-methoxyphenyl)ethylcarbamoyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]carbamate
SMILESCOC(=O)Nc1nc2c(s1)CN(C(=O)NCCc1ccc(OC)cc1)CC2
InChIInChI=1S/C18H22N4O4S/c1-25-13-5-3-12(4-6-13)7-9-19-17(23)22-10-8-14-15(11-22)27-16(20-14)21-18(24)26-2/h3-6H,7-11H2,1-2H3,(H,19,23)(H,20,21,24)
InChIKeyFLDZFCLATBQSNX-UHFFFAOYSA-N
MW390.47 g/mol
LogP2.64
Rot. Bonds5

About methyl N-[5-[2-(4-methoxyphenyl)ethylcarbamoyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]carbamate

methyl N-[5-[2-(4-methoxyphenyl)ethylcarbamoyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]carbamate (PubChem CID 90529146) has the molecular formula C18H22N4O4S and a molecular weight of 390.47 g/mol. Its IUPAC name is methyl N-[5-[2-(4-methoxyphenyl)ethylcarbamoyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]carbamate.

Molecular Properties

Compound Namemethyl N-[5-[2-(4-methoxyphenyl)ethylcarbamoyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]carbamate
PubChem CID90529146
Molecular FormulaC18H22N4O4S
Molecular Weight390.47 g/mol
Exact Mass390.14
IUPAC Namemethyl N-[5-[2-(4-methoxyphenyl)ethylcarbamoyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]carbamate
SMILESCOC(=O)Nc1nc2c(s1)CN(C(=O)NCCc1ccc(OC)cc1)CC2
InChIInChI=1S/C18H22N4O4S/c1-25-13-5-3-12(4-6-13)7-9-19-17(23)22-10-8-14-15(11-22)27-16(20-14)21-18(24)26-2/h3-6H,7-11H2,1-2H3,(H,19,23)(H,20,21,24)
InChIKeyFLDZFCLATBQSNX-UHFFFAOYSA-N
XLogP2.64
TPSA92.79 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.47
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

methyl N-[5-[2-(4-methoxyphenoxy)acetyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]carbamate
CID 90528879
2-(cyclopropanecarbonylamino)-N-(2-phenylethyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxamide
CID 90525823
methyl N-[5-[(4-ethoxyphenyl)carbamoyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]carbamate
CID 90529132
ethyl N-[5-[(3,4-dimethoxyphenyl)methylcarbamoyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]carbamate
CID 90528161
methyl N-[5-[(4-tert-butylphenyl)carbamoyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]carbamate
CID 90529140
2-(oxolane-2-carbonylamino)-N-(2-phenylethyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxamide
CID 90526295
methyl N-[5-(2-methylbenzoyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]carbamate
CID 90528814
methyl N-[5-(2-benzamidoacetyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]carbamate
CID 90528743
N-[5-[2-(4-methoxyphenyl)acetyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]pyridine-2-carboxamide
CID 90528392
methyl N-[5-(5-bromo-2-chlorobenzoyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]carbamate
CID 90528849
methyl N-[5-[2-(4-fluorophenyl)sulfanylacetyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]carbamate
CID 90528945
N-(4-methoxyphenyl)-2-(thiophene-2-carbonylamino)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxamide
CID 90527213

Frequently Asked Questions

What is the IUPAC name of methyl N-[5-[2-(4-methoxyphenyl)ethylcarbamoyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]carbamate?
The IUPAC name of methyl N-[5-[2-(4-methoxyphenyl)ethylcarbamoyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]carbamate (CID 90529146) is methyl N-[5-[2-(4-methoxyphenyl)ethylcarbamoyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]carbamate.
What is the SMILES notation for methyl N-[5-[2-(4-methoxyphenyl)ethylcarbamoyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]carbamate?
The canonical SMILES for methyl N-[5-[2-(4-methoxyphenyl)ethylcarbamoyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]carbamate is COC(=O)Nc1nc2c(s1)CN(C(=O)NCCc1ccc(OC)cc1)CC2.
What is the InChIKey of methyl N-[5-[2-(4-methoxyphenyl)ethylcarbamoyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]carbamate?
The InChIKey is FLDZFCLATBQSNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O4S/c1-25-13-5-3-12(4-6-13)7-9-19-17(23)22-10-8-14-15(11-22)27-16(20-14)21-18(24)26-2/h3-6H,7-11H2,1-2H3,(H,19,23)(H,20,21,24).
What are the key properties of methyl N-[5-[2-(4-methoxyphenyl)ethylcarbamoyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]carbamate?
methyl N-[5-[2-(4-methoxyphenyl)ethylcarbamoyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]carbamate has a molecular weight of 390.47 g/mol, XLogP of 2.64, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[5-[2-(4-methoxyphenyl)ethylcarbamoyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]carbamate is sourced from PubChem (CID 90529146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).