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

C9H13N3O2S — CID 119317046

IUPAC(2R)-2-amino-N-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl)propanamide
SMILESC[C@@H](N)C(=O)Nc1nc2c(s1)COCC2
InChIInChI=1S/C9H13N3O2S/c1-5(10)8(13)12-9-11-6-2-3-14-4-7(6)15-9/h5H,2-4,10H2,1H3,(H,11,12,13)/t5-/m1/s1
InChIKeyXEWHFUULFCOZKD-RXMQYKEDSA-N
MW227.29 g/mol
LogP0.50
Rot. Bonds2

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

(2R)-2-amino-N-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl)propanamide (PubChem CID 119317046) has the molecular formula C9H13N3O2S and a molecular weight of 227.29 g/mol. Its IUPAC name is (2R)-2-amino-N-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl)propanamide.

Molecular Properties

Compound Name(2R)-2-amino-N-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl)propanamide
PubChem CID119317046
Molecular FormulaC9H13N3O2S
Molecular Weight227.29 g/mol
Exact Mass227.07
IUPAC Name(2R)-2-amino-N-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl)propanamide
SMILESC[C@@H](N)C(=O)Nc1nc2c(s1)COCC2
InChIInChI=1S/C9H13N3O2S/c1-5(10)8(13)12-9-11-6-2-3-14-4-7(6)15-9/h5H,2-4,10H2,1H3,(H,11,12,13)/t5-/m1/s1
InChIKeyXEWHFUULFCOZKD-RXMQYKEDSA-N
XLogP0.50
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.29
LogP ≤ 50.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (2R)-2-amino-N-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl)propanamide with MolForge

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Related Compounds

cis-(1S,2R)-N-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl)-2-methylcyclopropane-1-carboxamide
CID 95996942
(2R)-N-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl)-5-methoxy-2-methylpentanamide
CID 99821031
(2R)-2-amino-N-(5-ethyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)propanamide
CID 119828537
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-(methylamino)acetamide;hydrochloride
CID 119772312
(2R)-2-amino-N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-3-methylbutanamide
CID 79013354
2-N-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl)propane-1,2-diamine
CID 83835368
(2S)-2-amino-3-methyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)butanamide;hydrochloride
CID 119290962
N-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl)adamantane-1-carboxamide
CID 90543549
(2S)-2-amino-N-(4,5,6,7,8,9-hexahydrocycloocta[d][1,3]thiazol-2-yl)-4-methylpentanamide
CID 119743841
3-amino-N-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl)cyclopentane-1-carboxamide
CID 119772305
N-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl)-9-methyl-3,9-diazabicyclo[4.2.1]nonane-3-carboxamide
CID 71984857

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-N-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl)propanamide?
The IUPAC name of (2R)-2-amino-N-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl)propanamide (CID 119317046) is (2R)-2-amino-N-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl)propanamide.
What is the SMILES notation for (2R)-2-amino-N-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl)propanamide?
The canonical SMILES for (2R)-2-amino-N-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl)propanamide is C[C@@H](N)C(=O)Nc1nc2c(s1)COCC2.
What is the InChIKey of (2R)-2-amino-N-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl)propanamide?
The InChIKey is XEWHFUULFCOZKD-RXMQYKEDSA-N. The full InChI is InChI=1S/C9H13N3O2S/c1-5(10)8(13)12-9-11-6-2-3-14-4-7(6)15-9/h5H,2-4,10H2,1H3,(H,11,12,13)/t5-/m1/s1.
What are the key properties of (2R)-2-amino-N-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl)propanamide?
(2R)-2-amino-N-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl)propanamide has a molecular weight of 227.29 g/mol, XLogP of 0.50, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-N-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl)propanamide is sourced from PubChem (CID 119317046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).