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

C10H17N3OS — CID 83839968

IUPAC2-N-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl)-2-N-methylpropane-1,2-diamine
SMILESCC(CN)N(C)c1nc2c(s1)COCC2
InChIInChI=1S/C10H17N3OS/c1-7(5-11)13(2)10-12-8-3-4-14-6-9(8)15-10/h7H,3-6,11H2,1-2H3
InChIKeyZPBSHCBBCYEPQL-UHFFFAOYSA-N
MW227.33 g/mol
LogP1.00
Rot. Bonds3

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

2-N-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl)-2-N-methylpropane-1,2-diamine (PubChem CID 83839968) has the molecular formula C10H17N3OS and a molecular weight of 227.33 g/mol. Its IUPAC name is 2-N-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl)-2-N-methylpropane-1,2-diamine.

Molecular Properties

Compound Name2-N-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl)-2-N-methylpropane-1,2-diamine
PubChem CID83839968
Molecular FormulaC10H17N3OS
Molecular Weight227.33 g/mol
Exact Mass227.11
IUPAC Name2-N-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl)-2-N-methylpropane-1,2-diamine
SMILESCC(CN)N(C)c1nc2c(s1)COCC2
InChIInChI=1S/C10H17N3OS/c1-7(5-11)13(2)10-12-8-3-4-14-6-9(8)15-10/h7H,3-6,11H2,1-2H3
InChIKeyZPBSHCBBCYEPQL-UHFFFAOYSA-N
XLogP1.00
TPSA51.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.33
LogP ≤ 51.00
H-Bond Donors ≤ 51
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)-2-N-methylpropane-1,2-diamine?
The IUPAC name of 2-N-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl)-2-N-methylpropane-1,2-diamine (CID 83839968) is 2-N-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl)-2-N-methylpropane-1,2-diamine.
What is the SMILES notation for 2-N-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl)-2-N-methylpropane-1,2-diamine?
The canonical SMILES for 2-N-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl)-2-N-methylpropane-1,2-diamine is CC(CN)N(C)c1nc2c(s1)COCC2.
What is the InChIKey of 2-N-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl)-2-N-methylpropane-1,2-diamine?
The InChIKey is ZPBSHCBBCYEPQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3OS/c1-7(5-11)13(2)10-12-8-3-4-14-6-9(8)15-10/h7H,3-6,11H2,1-2H3.
What are the key properties of 2-N-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl)-2-N-methylpropane-1,2-diamine?
2-N-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl)-2-N-methylpropane-1,2-diamine has a molecular weight of 227.33 g/mol, XLogP of 1.00, 3 rotatable bonds, 1 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)-2-N-methylpropane-1,2-diamine is sourced from PubChem (CID 83839968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).