1-amino-3-(6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl)propan-2-ol

C9H15N3OS — CID 118611156

IUPAC1-amino-3-(6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl)propan-2-ol
SMILESNCC(O)CN1CCc2ncsc2C1
InChIInChI=1S/C9H15N3OS/c10-3-7(13)4-12-2-1-8-9(5-12)14-6-11-8/h6-7,13H,1-5,10H2
InChIKeyJTVXHXCSZASREK-UHFFFAOYSA-N
MW213.31 g/mol
LogP-0.18
Rot. Bonds3

About 1-amino-3-(6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl)propan-2-ol

1-amino-3-(6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl)propan-2-ol (PubChem CID 118611156) has the molecular formula C9H15N3OS and a molecular weight of 213.31 g/mol. Its IUPAC name is 1-amino-3-(6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl)propan-2-ol.

Molecular Properties

Compound Name1-amino-3-(6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl)propan-2-ol
PubChem CID118611156
Molecular FormulaC9H15N3OS
Molecular Weight213.31 g/mol
Exact Mass213.09
IUPAC Name1-amino-3-(6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl)propan-2-ol
SMILESNCC(O)CN1CCc2ncsc2C1
InChIInChI=1S/C9H15N3OS/c10-3-7(13)4-12-2-1-8-9(5-12)14-6-11-8/h6-7,13H,1-5,10H2
InChIKeyJTVXHXCSZASREK-UHFFFAOYSA-N
XLogP-0.18
TPSA62.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.31
LogP ≤ 5-0.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-amino-3-(6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl)propan-2-ol?
The IUPAC name of 1-amino-3-(6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl)propan-2-ol (CID 118611156) is 1-amino-3-(6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl)propan-2-ol.
What is the SMILES notation for 1-amino-3-(6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl)propan-2-ol?
The canonical SMILES for 1-amino-3-(6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl)propan-2-ol is NCC(O)CN1CCc2ncsc2C1.
What is the InChIKey of 1-amino-3-(6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl)propan-2-ol?
The InChIKey is JTVXHXCSZASREK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3OS/c10-3-7(13)4-12-2-1-8-9(5-12)14-6-11-8/h6-7,13H,1-5,10H2.
What are the key properties of 1-amino-3-(6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl)propan-2-ol?
1-amino-3-(6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl)propan-2-ol has a molecular weight of 213.31 g/mol, XLogP of -0.18, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-3-(6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl)propan-2-ol is sourced from PubChem (CID 118611156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).