2-pyrrolidin-2-yl-6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazole

C10H14N2OS — CID 62540361

IUPAC2-pyrrolidin-2-yl-6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazole
SMILESC1CNC(c2nc3c(s2)COCC3)C1
InChIInChI=1S/C10H14N2OS/c1-2-8(11-4-1)10-12-7-3-5-13-6-9(7)14-10/h8,11H,1-6H2
InChIKeyVGGRBGJRPRJBTE-UHFFFAOYSA-N
MW210.30 g/mol
LogP1.64
Rot. Bonds1

About 2-pyrrolidin-2-yl-6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazole

2-pyrrolidin-2-yl-6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazole (PubChem CID 62540361) has the molecular formula C10H14N2OS and a molecular weight of 210.30 g/mol. Its IUPAC name is 2-pyrrolidin-2-yl-6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazole.

Molecular Properties

Compound Name2-pyrrolidin-2-yl-6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazole
PubChem CID62540361
Molecular FormulaC10H14N2OS
Molecular Weight210.30 g/mol
Exact Mass210.08
IUPAC Name2-pyrrolidin-2-yl-6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazole
SMILESC1CNC(c2nc3c(s2)COCC3)C1
InChIInChI=1S/C10H14N2OS/c1-2-8(11-4-1)10-12-7-3-5-13-6-9(7)14-10/h8,11H,1-6H2
InChIKeyVGGRBGJRPRJBTE-UHFFFAOYSA-N
XLogP1.64
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.30
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-pyrrolidin-2-yl-6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazole?
The IUPAC name of 2-pyrrolidin-2-yl-6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazole (CID 62540361) is 2-pyrrolidin-2-yl-6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazole.
What is the SMILES notation for 2-pyrrolidin-2-yl-6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazole?
The canonical SMILES for 2-pyrrolidin-2-yl-6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazole is C1CNC(c2nc3c(s2)COCC3)C1.
What is the InChIKey of 2-pyrrolidin-2-yl-6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazole?
The InChIKey is VGGRBGJRPRJBTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2OS/c1-2-8(11-4-1)10-12-7-3-5-13-6-9(7)14-10/h8,11H,1-6H2.
What are the key properties of 2-pyrrolidin-2-yl-6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazole?
2-pyrrolidin-2-yl-6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazole has a molecular weight of 210.30 g/mol, XLogP of 1.64, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyrrolidin-2-yl-6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazole is sourced from PubChem (CID 62540361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).