4,5,6,7-tetrahydro-[1,2]thiazolo[5,4-c]pyridin-3-one;hydrochloride

C6H9ClN2OS — CID 122360514

IUPAC4,5,6,7-tetrahydro-[1,2]thiazolo[5,4-c]pyridin-3-one;hydrochloride
SMILESCl.O=c1[nH]sc2c1CCNC2
InChIInChI=1S/C6H8N2OS.ClH/c9-6-4-1-2-7-3-5(4)10-8-6;/h7H,1-3H2,(H,8,9);1H
InChIKeyIUFIKXGIOFPCIB-UHFFFAOYSA-N
MW192.67 g/mol
LogP0.50
Rot. Bonds

About 4,5,6,7-tetrahydro-[1,2]thiazolo[5,4-c]pyridin-3-one;hydrochloride

4,5,6,7-tetrahydro-[1,2]thiazolo[5,4-c]pyridin-3-one;hydrochloride (PubChem CID 122360514) has the molecular formula C6H9ClN2OS and a molecular weight of 192.67 g/mol. Its IUPAC name is 4,5,6,7-tetrahydro-[1,2]thiazolo[5,4-c]pyridin-3-one;hydrochloride.

Molecular Properties

Compound Name4,5,6,7-tetrahydro-[1,2]thiazolo[5,4-c]pyridin-3-one;hydrochloride
PubChem CID122360514
Molecular FormulaC6H9ClN2OS
Molecular Weight192.67 g/mol
Exact Mass192.01
IUPAC Name4,5,6,7-tetrahydro-[1,2]thiazolo[5,4-c]pyridin-3-one;hydrochloride
SMILESCl.O=c1[nH]sc2c1CCNC2
InChIInChI=1S/C6H8N2OS.ClH/c9-6-4-1-2-7-3-5(4)10-8-6;/h7H,1-3H2,(H,8,9);1H
InChIKeyIUFIKXGIOFPCIB-UHFFFAOYSA-N
XLogP0.50
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.67
LogP ≤ 50.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

calcium;hydride;4,5,6,7-tetrahydro-[1,2]oxazolo[5,4-c]pyridin-3-one
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CID 67466413
1,4-diazepan-6-one
CID 23090352
1,2,4,5,6,7-hexahydropyrazolo[4,3-c]pyridin-3-one;dihydrochloride
CID 71755460
1,5-diazocan-3-one;dihydrochloride
CID 118993465
2-methyl-5,6,7,8-tetrahydro-3H-pyrido[3,4-d]pyrimidin-4-one
CID 135741595
5,6,7,8-tetrahydro-2H-pyrido[3,4-d]pyridazin-1-one;hydrochloride
CID 71743924
4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine;dihydrochloride
CID 75481703
2-(2,3-dioxoaziridin-1-yl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxylic acid
CID 101372178
ethene;molecular hydrogen;pyrrolidin-3-one
CID 171796444
3-methyl-2-propan-2-yl-4,5,6,7-tetrahydrothieno[2,3-c]pyridine
CID 89159795
5-pyridin-2-yl-8-thia-4,6,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),5-trien-3-one;hydrochloride
CID 162328198

Frequently Asked Questions

What is the IUPAC name of 4,5,6,7-tetrahydro-[1,2]thiazolo[5,4-c]pyridin-3-one;hydrochloride?
The IUPAC name of 4,5,6,7-tetrahydro-[1,2]thiazolo[5,4-c]pyridin-3-one;hydrochloride (CID 122360514) is 4,5,6,7-tetrahydro-[1,2]thiazolo[5,4-c]pyridin-3-one;hydrochloride.
What is the SMILES notation for 4,5,6,7-tetrahydro-[1,2]thiazolo[5,4-c]pyridin-3-one;hydrochloride?
The canonical SMILES for 4,5,6,7-tetrahydro-[1,2]thiazolo[5,4-c]pyridin-3-one;hydrochloride is Cl.O=c1[nH]sc2c1CCNC2.
What is the InChIKey of 4,5,6,7-tetrahydro-[1,2]thiazolo[5,4-c]pyridin-3-one;hydrochloride?
The InChIKey is IUFIKXGIOFPCIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N2OS.ClH/c9-6-4-1-2-7-3-5(4)10-8-6;/h7H,1-3H2,(H,8,9);1H.
What are the key properties of 4,5,6,7-tetrahydro-[1,2]thiazolo[5,4-c]pyridin-3-one;hydrochloride?
4,5,6,7-tetrahydro-[1,2]thiazolo[5,4-c]pyridin-3-one;hydrochloride has a molecular weight of 192.67 g/mol, XLogP of 0.50, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5,6,7-tetrahydro-[1,2]thiazolo[5,4-c]pyridin-3-one;hydrochloride is sourced from PubChem (CID 122360514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).