3-amino-N-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl)propanamide;hydrochloride

C9H14ClN3O2S — CID 119317032

IUPAC3-amino-N-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl)propanamide;hydrochloride
SMILESCl.NCCC(=O)Nc1nc2c(s1)COCC2
InChIInChI=1S/C9H13N3O2S.ClH/c10-3-1-8(13)12-9-11-6-2-4-14-5-7(6)15-9;/h1-5,10H2,(H,11,12,13);1H
InChIKeyYOCKIGVUSFKIJV-UHFFFAOYSA-N
MW263.75 g/mol
LogP0.92
Rot. Bonds3

About 3-amino-N-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl)propanamide;hydrochloride

3-amino-N-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl)propanamide;hydrochloride (PubChem CID 119317032) has the molecular formula C9H14ClN3O2S and a molecular weight of 263.75 g/mol. Its IUPAC name is 3-amino-N-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl)propanamide;hydrochloride.

Molecular Properties

Compound Name3-amino-N-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl)propanamide;hydrochloride
PubChem CID119317032
Molecular FormulaC9H14ClN3O2S
Molecular Weight263.75 g/mol
Exact Mass263.05
IUPAC Name3-amino-N-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl)propanamide;hydrochloride
SMILESCl.NCCC(=O)Nc1nc2c(s1)COCC2
InChIInChI=1S/C9H13N3O2S.ClH/c10-3-1-8(13)12-9-11-6-2-4-14-5-7(6)15-9;/h1-5,10H2,(H,11,12,13);1H
InChIKeyYOCKIGVUSFKIJV-UHFFFAOYSA-N
XLogP0.92
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.75
LogP ≤ 50.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-amino-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)propanamide;hydrochloride
CID 82034009
3-(2-aminophenyl)-N-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl)propanamide;hydrochloride
CID 120610398
N-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl)-2-(methylamino)acetamide;hydrochloride
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3-cyclohexyl-N-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl)propanamide
CID 90543548
(2R)-2-amino-N-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl)propanamide
CID 119317046
4-(aminomethyl)-N-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl)benzamide
CID 119317040
N-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl)-2-(2-methoxyethylamino)acetamide
CID 119772335
cis-(1S,2R)-N-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl)-2-methylcyclopropane-1-carboxamide
CID 95996942
N-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl)-2-(4-methylphenoxy)acetamide
CID 90543617
N-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl)adamantane-1-carboxamide
CID 90543549
3-amino-N-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl)cyclopentane-1-carboxamide
CID 119772305
(1R,5S)-N-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl)-3-hydroxy-8-azabicyclo[3.2.1]octane-8-carboxamide
CID 154846520

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl)propanamide;hydrochloride?
The IUPAC name of 3-amino-N-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl)propanamide;hydrochloride (CID 119317032) is 3-amino-N-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl)propanamide;hydrochloride.
What is the SMILES notation for 3-amino-N-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl)propanamide;hydrochloride?
The canonical SMILES for 3-amino-N-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl)propanamide;hydrochloride is Cl.NCCC(=O)Nc1nc2c(s1)COCC2.
What is the InChIKey of 3-amino-N-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl)propanamide;hydrochloride?
The InChIKey is YOCKIGVUSFKIJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O2S.ClH/c10-3-1-8(13)12-9-11-6-2-4-14-5-7(6)15-9;/h1-5,10H2,(H,11,12,13);1H.
What are the key properties of 3-amino-N-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl)propanamide;hydrochloride?
3-amino-N-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl)propanamide;hydrochloride has a molecular weight of 263.75 g/mol, XLogP of 0.92, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl)propanamide;hydrochloride is sourced from PubChem (CID 119317032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).