ethyl N-[5-[(3,4-dimethoxyphenyl)methylcarbamoyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]carbamate

C19H24N4O5S — CID 90528161

IUPACethyl N-[5-[(3,4-dimethoxyphenyl)methylcarbamoyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]carbamate
SMILESCCOC(=O)Nc1nc2c(s1)CN(C(=O)NCc1ccc(OC)c(OC)c1)CC2
InChIInChI=1S/C19H24N4O5S/c1-4-28-19(25)22-17-21-13-7-8-23(11-16(13)29-17)18(24)20-10-12-5-6-14(26-2)15(9-12)27-3/h5-6,9H,4,7-8,10-11H2,1-3H3,(H,20,24)(H,21,22,25)
InChIKeyFPMHYUCLIRBHQP-UHFFFAOYSA-N
MW420.49 g/mol
LogP3.00
Rot. Bonds6

About ethyl N-[5-[(3,4-dimethoxyphenyl)methylcarbamoyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]carbamate

ethyl N-[5-[(3,4-dimethoxyphenyl)methylcarbamoyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]carbamate (PubChem CID 90528161) has the molecular formula C19H24N4O5S and a molecular weight of 420.49 g/mol. Its IUPAC name is ethyl N-[5-[(3,4-dimethoxyphenyl)methylcarbamoyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]carbamate.

Molecular Properties

Compound Nameethyl N-[5-[(3,4-dimethoxyphenyl)methylcarbamoyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]carbamate
PubChem CID90528161
Molecular FormulaC19H24N4O5S
Molecular Weight420.49 g/mol
Exact Mass420.15
IUPAC Nameethyl N-[5-[(3,4-dimethoxyphenyl)methylcarbamoyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]carbamate
SMILESCCOC(=O)Nc1nc2c(s1)CN(C(=O)NCc1ccc(OC)c(OC)c1)CC2
InChIInChI=1S/C19H24N4O5S/c1-4-28-19(25)22-17-21-13-7-8-23(11-16(13)29-17)18(24)20-10-12-5-6-14(26-2)15(9-12)27-3/h5-6,9H,4,7-8,10-11H2,1-3H3,(H,20,24)(H,21,22,25)
InChIKeyFPMHYUCLIRBHQP-UHFFFAOYSA-N
XLogP3.00
TPSA102.02 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.49
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

ethyl N-[5-[(4-methylphenyl)carbamoyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]carbamate
CID 90528142
methyl N-[5-[2-(4-methoxyphenyl)ethylcarbamoyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]carbamate
CID 90529146
ethyl N-[5-(naphthalene-2-carbonyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]carbamate
CID 90527889
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
N-benzyl-2-(cyclopropanecarbonylamino)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxamide
CID 90525827
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-(5-oxopyrrolidine-2-carbonyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]carbamate
CID 90527771
ethyl N-[5-[3-(trifluoromethyl)benzoyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]carbamate
CID 90527885
ethyl N-[5-[3-(3-methoxyphenyl)-1H-pyrazole-5-carbonyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]carbamate
CID 90527787
ethyl N-[5-(2-ethylsulfanylbenzoyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]carbamate
CID 71788102
ethyl N-[5-(2-chloro-6-fluorobenzoyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]carbamate
CID 90527873
ethyl N-[5-(1-methyl-3-phenylpyrazole-5-carbonyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]carbamate
CID 90527811

Frequently Asked Questions

What is the IUPAC name of ethyl N-[5-[(3,4-dimethoxyphenyl)methylcarbamoyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]carbamate?
The IUPAC name of ethyl N-[5-[(3,4-dimethoxyphenyl)methylcarbamoyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]carbamate (CID 90528161) is ethyl N-[5-[(3,4-dimethoxyphenyl)methylcarbamoyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]carbamate.
What is the SMILES notation for ethyl N-[5-[(3,4-dimethoxyphenyl)methylcarbamoyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]carbamate?
The canonical SMILES for ethyl N-[5-[(3,4-dimethoxyphenyl)methylcarbamoyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]carbamate is CCOC(=O)Nc1nc2c(s1)CN(C(=O)NCc1ccc(OC)c(OC)c1)CC2.
What is the InChIKey of ethyl N-[5-[(3,4-dimethoxyphenyl)methylcarbamoyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]carbamate?
The InChIKey is FPMHYUCLIRBHQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O5S/c1-4-28-19(25)22-17-21-13-7-8-23(11-16(13)29-17)18(24)20-10-12-5-6-14(26-2)15(9-12)27-3/h5-6,9H,4,7-8,10-11H2,1-3H3,(H,20,24)(H,21,22,25).
What are the key properties of ethyl N-[5-[(3,4-dimethoxyphenyl)methylcarbamoyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]carbamate?
ethyl N-[5-[(3,4-dimethoxyphenyl)methylcarbamoyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]carbamate has a molecular weight of 420.49 g/mol, XLogP of 3.00, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[5-[(3,4-dimethoxyphenyl)methylcarbamoyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]carbamate is sourced from PubChem (CID 90528161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).