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

C9H14ClN3O2S — CID 119772312

IUPACN-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl)-2-(methylamino)acetamide;hydrochloride
SMILESCNCC(=O)Nc1nc2c(s1)COCC2.Cl
InChIInChI=1S/C9H13N3O2S.ClH/c1-10-4-8(13)12-9-11-6-2-3-14-5-7(6)15-9;/h10H,2-5H2,1H3,(H,11,12,13);1H
InChIKeyGCPXVKLMSLTCJC-UHFFFAOYSA-N
MW263.75 g/mol
LogP0.80
Rot. Bonds3

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

N-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl)-2-(methylamino)acetamide;hydrochloride (PubChem CID 119772312) has the molecular formula C9H14ClN3O2S and a molecular weight of 263.75 g/mol. Its IUPAC name is N-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl)-2-(methylamino)acetamide;hydrochloride.

Molecular Properties

Compound NameN-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl)-2-(methylamino)acetamide;hydrochloride
PubChem CID119772312
Molecular FormulaC9H14ClN3O2S
Molecular Weight263.75 g/mol
Exact Mass263.05
IUPAC NameN-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl)-2-(methylamino)acetamide;hydrochloride
SMILESCNCC(=O)Nc1nc2c(s1)COCC2.Cl
InChIInChI=1S/C9H13N3O2S.ClH/c1-10-4-8(13)12-9-11-6-2-3-14-5-7(6)15-9;/h10H,2-5H2,1H3,(H,11,12,13);1H
InChIKeyGCPXVKLMSLTCJC-UHFFFAOYSA-N
XLogP0.80
TPSA63.25 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 ≤ 50.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl)-2-(methylamino)acetamide;hydrochloride with MolForge

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Related Compounds

3-amino-N-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl)propanamide;hydrochloride
CID 119317032
N-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl)-2-(2-methoxyethylamino)acetamide
CID 119772335
N-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl)-2-(4-methylphenoxy)acetamide
CID 90543617
(2R)-2-amino-N-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl)propanamide
CID 119317046
cis-(1S,2R)-N-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl)-2-methylcyclopropane-1-carboxamide
CID 95996942
3-cyclohexyl-N-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl)propanamide
CID 90543548
N-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl)-2-(2-methyl-4-oxopyran-3-yl)oxyacetamide
CID 138025572
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)-3,4-dimethylbenzamide
CID 90543562
N-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl)adamantane-1-carboxamide
CID 90543549
(2R)-N-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl)-5-methoxy-2-methylpentanamide
CID 99821031
4-(aminomethyl)-N-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl)benzamide
CID 119317040

Frequently Asked Questions

What is the IUPAC name of N-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl)-2-(methylamino)acetamide;hydrochloride?
The IUPAC name of N-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl)-2-(methylamino)acetamide;hydrochloride (CID 119772312) is N-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl)-2-(methylamino)acetamide;hydrochloride.
What is the SMILES notation for N-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl)-2-(methylamino)acetamide;hydrochloride?
The canonical SMILES for N-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl)-2-(methylamino)acetamide;hydrochloride is CNCC(=O)Nc1nc2c(s1)COCC2.Cl.
What is the InChIKey of N-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl)-2-(methylamino)acetamide;hydrochloride?
The InChIKey is GCPXVKLMSLTCJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O2S.ClH/c1-10-4-8(13)12-9-11-6-2-3-14-5-7(6)15-9;/h10H,2-5H2,1H3,(H,11,12,13);1H.
What are the key properties of N-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl)-2-(methylamino)acetamide;hydrochloride?
N-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl)-2-(methylamino)acetamide;hydrochloride has a molecular weight of 263.75 g/mol, XLogP of 0.80, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl)-2-(methylamino)acetamide;hydrochloride is sourced from PubChem (CID 119772312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).