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

C14H18N4O4S — CID 90527771

IUPACethyl N-[5-(5-oxopyrrolidine-2-carbonyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]carbamate
SMILESCCOC(=O)Nc1nc2c(s1)CN(C(=O)C1CCC(=O)N1)CC2
InChIInChI=1S/C14H18N4O4S/c1-2-22-14(21)17-13-16-8-5-6-18(7-10(8)23-13)12(20)9-3-4-11(19)15-9/h9H,2-7H2,1H3,(H,15,19)(H,16,17,21)
InChIKeyNLPDTTSFPCZALV-UHFFFAOYSA-N
MW338.39 g/mol
LogP0.87
Rot. Bonds3

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

ethyl N-[5-(5-oxopyrrolidine-2-carbonyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]carbamate (PubChem CID 90527771) has the molecular formula C14H18N4O4S and a molecular weight of 338.39 g/mol. Its IUPAC name is ethyl N-[5-(5-oxopyrrolidine-2-carbonyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]carbamate.

Molecular Properties

Compound Nameethyl N-[5-(5-oxopyrrolidine-2-carbonyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]carbamate
PubChem CID90527771
Molecular FormulaC14H18N4O4S
Molecular Weight338.39 g/mol
Exact Mass338.10
IUPAC Nameethyl N-[5-(5-oxopyrrolidine-2-carbonyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]carbamate
SMILESCCOC(=O)Nc1nc2c(s1)CN(C(=O)C1CCC(=O)N1)CC2
InChIInChI=1S/C14H18N4O4S/c1-2-22-14(21)17-13-16-8-5-6-18(7-10(8)23-13)12(20)9-3-4-11(19)15-9/h9H,2-7H2,1H3,(H,15,19)(H,16,17,21)
InChIKeyNLPDTTSFPCZALV-UHFFFAOYSA-N
XLogP0.87
TPSA100.63 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.39
LogP ≤ 50.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[5-(5-oxopyrrolidine-2-carbonyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]acetamide
CID 90524974
ethyl N-[5-(cyclohex-3-ene-1-carbonyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]carbamate
CID 71788109
ethyl N-[5-(3,5-dimethylbenzoyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]carbamate
CID 90527844
ethyl N-[5-[(4-methylphenyl)carbamoyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]carbamate
CID 90528142
ethyl N-[5-(2-methyl-3-nitrobenzoyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]carbamate
CID 90527879
ethyl N-[5-(2-ethoxybenzoyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]carbamate
CID 90527850
ethyl N-[5-[(2,4-dimethoxyphenyl)carbamoyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]carbamate
CID 90528151
ethyl N-[5-(naphthalene-2-carbonyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]carbamate
CID 90527889
ethyl 2-[2-(methoxycarbonylamino)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]acetate
CID 90529105
ethyl N-[5-(2-ethylsulfanylbenzoyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]carbamate
CID 71788102
ethyl N-[5-(3-fluorobenzoyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]carbamate
CID 90527862
ethyl N-[5-(2-phenoxypropanoyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]carbamate
CID 90527899

Frequently Asked Questions

What is the IUPAC name of ethyl N-[5-(5-oxopyrrolidine-2-carbonyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]carbamate?
The IUPAC name of ethyl N-[5-(5-oxopyrrolidine-2-carbonyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]carbamate (CID 90527771) is ethyl N-[5-(5-oxopyrrolidine-2-carbonyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]carbamate.
What is the SMILES notation for ethyl N-[5-(5-oxopyrrolidine-2-carbonyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]carbamate?
The canonical SMILES for ethyl N-[5-(5-oxopyrrolidine-2-carbonyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]carbamate is CCOC(=O)Nc1nc2c(s1)CN(C(=O)C1CCC(=O)N1)CC2.
What is the InChIKey of ethyl N-[5-(5-oxopyrrolidine-2-carbonyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]carbamate?
The InChIKey is NLPDTTSFPCZALV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O4S/c1-2-22-14(21)17-13-16-8-5-6-18(7-10(8)23-13)12(20)9-3-4-11(19)15-9/h9H,2-7H2,1H3,(H,15,19)(H,16,17,21).
What are the key properties of ethyl N-[5-(5-oxopyrrolidine-2-carbonyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]carbamate?
ethyl N-[5-(5-oxopyrrolidine-2-carbonyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]carbamate has a molecular weight of 338.39 g/mol, XLogP of 0.87, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[5-(5-oxopyrrolidine-2-carbonyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]carbamate is sourced from PubChem (CID 90527771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).