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

C9H13N3O2S — CID 43593408

IUPACethyl N-(4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)carbamate
SMILESCCOC(=O)Nc1nc2c(s1)CNCC2
InChIInChI=1S/C9H13N3O2S/c1-2-14-9(13)12-8-11-6-3-4-10-5-7(6)15-8/h10H,2-5H2,1H3,(H,11,12,13)
InChIKeyCDMVCUJRGZWXEC-UHFFFAOYSA-N
MW227.29 g/mol
LogP1.36
Rot. Bonds2

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

ethyl N-(4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)carbamate (PubChem CID 43593408) has the molecular formula C9H13N3O2S and a molecular weight of 227.29 g/mol. Its IUPAC name is ethyl N-(4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)carbamate.

Molecular Properties

Compound Nameethyl N-(4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)carbamate
PubChem CID43593408
Molecular FormulaC9H13N3O2S
Molecular Weight227.29 g/mol
Exact Mass227.07
IUPAC Nameethyl N-(4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)carbamate
SMILESCCOC(=O)Nc1nc2c(s1)CNCC2
InChIInChI=1S/C9H13N3O2S/c1-2-14-9(13)12-8-11-6-3-4-10-5-7(6)15-8/h10H,2-5H2,1H3,(H,11,12,13)
InChIKeyCDMVCUJRGZWXEC-UHFFFAOYSA-N
XLogP1.36
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.29
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl N-(4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)carbamate?
The IUPAC name of ethyl N-(4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)carbamate (CID 43593408) is ethyl N-(4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)carbamate.
What is the SMILES notation for ethyl N-(4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)carbamate?
The canonical SMILES for ethyl N-(4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)carbamate is CCOC(=O)Nc1nc2c(s1)CNCC2.
What is the InChIKey of ethyl N-(4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)carbamate?
The InChIKey is CDMVCUJRGZWXEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O2S/c1-2-14-9(13)12-8-11-6-3-4-10-5-7(6)15-8/h10H,2-5H2,1H3,(H,11,12,13).
What are the key properties of ethyl N-(4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)carbamate?
ethyl N-(4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)carbamate has a molecular weight of 227.29 g/mol, XLogP of 1.36, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-(4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)carbamate is sourced from PubChem (CID 43593408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).