2-N-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl)propane-1,2-diamine

C9H15N3OS — CID 83835368

IUPAC2-N-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl)propane-1,2-diamine
SMILESCC(CN)Nc1nc2c(s1)COCC2
InChIInChI=1S/C9H15N3OS/c1-6(4-10)11-9-12-7-2-3-13-5-8(7)14-9/h6H,2-5,10H2,1H3,(H,11,12)
InChIKeyCUEDWTFVDVDKCP-UHFFFAOYSA-N
MW213.31 g/mol
LogP0.97
Rot. Bonds3

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

2-N-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl)propane-1,2-diamine (PubChem CID 83835368) has the molecular formula C9H15N3OS and a molecular weight of 213.31 g/mol. Its IUPAC name is 2-N-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl)propane-1,2-diamine.

Molecular Properties

Compound Name2-N-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl)propane-1,2-diamine
PubChem CID83835368
Molecular FormulaC9H15N3OS
Molecular Weight213.31 g/mol
Exact Mass213.09
IUPAC Name2-N-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl)propane-1,2-diamine
SMILESCC(CN)Nc1nc2c(s1)COCC2
InChIInChI=1S/C9H15N3OS/c1-6(4-10)11-9-12-7-2-3-13-5-8(7)14-9/h6H,2-5,10H2,1H3,(H,11,12)
InChIKeyCUEDWTFVDVDKCP-UHFFFAOYSA-N
XLogP0.97
TPSA60.17 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 ≤ 50.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-N-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl)propane-1,2-diamine?
The IUPAC name of 2-N-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl)propane-1,2-diamine (CID 83835368) is 2-N-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl)propane-1,2-diamine.
What is the SMILES notation for 2-N-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl)propane-1,2-diamine?
The canonical SMILES for 2-N-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl)propane-1,2-diamine is CC(CN)Nc1nc2c(s1)COCC2.
What is the InChIKey of 2-N-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl)propane-1,2-diamine?
The InChIKey is CUEDWTFVDVDKCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3OS/c1-6(4-10)11-9-12-7-2-3-13-5-8(7)14-9/h6H,2-5,10H2,1H3,(H,11,12).
What are the key properties of 2-N-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl)propane-1,2-diamine?
2-N-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl)propane-1,2-diamine has a molecular weight of 213.31 g/mol, XLogP of 0.97, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl)propane-1,2-diamine is sourced from PubChem (CID 83835368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).