1-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl)propan-1-amine

C9H14N2OS — CID 61339171

IUPAC1-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl)propan-1-amine
SMILESCCC(N)c1nc2c(s1)COCC2
InChIInChI=1S/C9H14N2OS/c1-2-6(10)9-11-7-3-4-12-5-8(7)13-9/h6H,2-5,10H2,1H3
InChIKeyVYRSCYSBHKRCDI-UHFFFAOYSA-N
MW198.29 g/mol
LogP1.63
Rot. Bonds2

About 1-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl)propan-1-amine

1-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl)propan-1-amine (PubChem CID 61339171) has the molecular formula C9H14N2OS and a molecular weight of 198.29 g/mol. Its IUPAC name is 1-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl)propan-1-amine.

Molecular Properties

Compound Name1-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl)propan-1-amine
PubChem CID61339171
Molecular FormulaC9H14N2OS
Molecular Weight198.29 g/mol
Exact Mass198.08
IUPAC Name1-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl)propan-1-amine
SMILESCCC(N)c1nc2c(s1)COCC2
InChIInChI=1S/C9H14N2OS/c1-2-6(10)9-11-7-3-4-12-5-8(7)13-9/h6H,2-5,10H2,1H3
InChIKeyVYRSCYSBHKRCDI-UHFFFAOYSA-N
XLogP1.63
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.29
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl)propan-1-amine?
The IUPAC name of 1-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl)propan-1-amine (CID 61339171) is 1-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl)propan-1-amine.
What is the SMILES notation for 1-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl)propan-1-amine?
The canonical SMILES for 1-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl)propan-1-amine is CCC(N)c1nc2c(s1)COCC2.
What is the InChIKey of 1-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl)propan-1-amine?
The InChIKey is VYRSCYSBHKRCDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2OS/c1-2-6(10)9-11-7-3-4-12-5-8(7)13-9/h6H,2-5,10H2,1H3.
What are the key properties of 1-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl)propan-1-amine?
1-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl)propan-1-amine has a molecular weight of 198.29 g/mol, XLogP of 1.63, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl)propan-1-amine is sourced from PubChem (CID 61339171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).