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

C9H14N4OS — CID 43593384

IUPAC1-ethyl-3-(4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)urea
SMILESCCNC(=O)Nc1nc2c(s1)CNCC2
InChIInChI=1S/C9H14N4OS/c1-2-11-8(14)13-9-12-6-3-4-10-5-7(6)15-9/h10H,2-5H2,1H3,(H2,11,12,13,14)
InChIKeyATJIFIQQLMVBCK-UHFFFAOYSA-N
MW226.30 g/mol
LogP0.93
Rot. Bonds2

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

1-ethyl-3-(4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)urea (PubChem CID 43593384) has the molecular formula C9H14N4OS and a molecular weight of 226.30 g/mol. Its IUPAC name is 1-ethyl-3-(4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)urea.

Molecular Properties

Compound Name1-ethyl-3-(4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)urea
PubChem CID43593384
Molecular FormulaC9H14N4OS
Molecular Weight226.30 g/mol
Exact Mass226.09
IUPAC Name1-ethyl-3-(4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)urea
SMILESCCNC(=O)Nc1nc2c(s1)CNCC2
InChIInChI=1S/C9H14N4OS/c1-2-11-8(14)13-9-12-6-3-4-10-5-7(6)15-9/h10H,2-5H2,1H3,(H2,11,12,13,14)
InChIKeyATJIFIQQLMVBCK-UHFFFAOYSA-N
XLogP0.93
TPSA66.05 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.30
LogP ≤ 50.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-(4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)urea?
The IUPAC name of 1-ethyl-3-(4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)urea (CID 43593384) is 1-ethyl-3-(4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)urea.
What is the SMILES notation for 1-ethyl-3-(4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)urea?
The canonical SMILES for 1-ethyl-3-(4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)urea is CCNC(=O)Nc1nc2c(s1)CNCC2.
What is the InChIKey of 1-ethyl-3-(4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)urea?
The InChIKey is ATJIFIQQLMVBCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N4OS/c1-2-11-8(14)13-9-12-6-3-4-10-5-7(6)15-9/h10H,2-5H2,1H3,(H2,11,12,13,14).
What are the key properties of 1-ethyl-3-(4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)urea?
1-ethyl-3-(4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)urea has a molecular weight of 226.30 g/mol, XLogP of 0.93, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-(4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)urea is sourced from PubChem (CID 43593384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).