N-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-ylmethyl)-1-(2-ethylpyrazol-3-yl)ethanamine

C14H20N4OS — CID 146145007

IUPACN-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-ylmethyl)-1-(2-ethylpyrazol-3-yl)ethanamine
SMILESCCn1nccc1C(C)NCc1nc2c(s1)COCC2
InChIInChI=1S/C14H20N4OS/c1-3-18-12(4-6-16-18)10(2)15-8-14-17-11-5-7-19-9-13(11)20-14/h4,6,10,15H,3,5,7-9H2,1-2H3
InChIKeyWYOJIEZLVMLRJG-UHFFFAOYSA-N
MW292.41 g/mol
LogP2.28
Rot. Bonds5

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

N-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-ylmethyl)-1-(2-ethylpyrazol-3-yl)ethanamine (PubChem CID 146145007) has the molecular formula C14H20N4OS and a molecular weight of 292.41 g/mol. Its IUPAC name is N-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-ylmethyl)-1-(2-ethylpyrazol-3-yl)ethanamine.

Molecular Properties

Compound NameN-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-ylmethyl)-1-(2-ethylpyrazol-3-yl)ethanamine
PubChem CID146145007
Molecular FormulaC14H20N4OS
Molecular Weight292.41 g/mol
Exact Mass292.14
IUPAC NameN-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-ylmethyl)-1-(2-ethylpyrazol-3-yl)ethanamine
SMILESCCn1nccc1C(C)NCc1nc2c(s1)COCC2
InChIInChI=1S/C14H20N4OS/c1-3-18-12(4-6-16-18)10(2)15-8-14-17-11-5-7-19-9-13(11)20-14/h4,6,10,15H,3,5,7-9H2,1-2H3
InChIKeyWYOJIEZLVMLRJG-UHFFFAOYSA-N
XLogP2.28
TPSA51.97 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.41
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-ylmethyl)-1-(2-ethylpyrazol-3-yl)ethanamine?
The IUPAC name of N-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-ylmethyl)-1-(2-ethylpyrazol-3-yl)ethanamine (CID 146145007) is N-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-ylmethyl)-1-(2-ethylpyrazol-3-yl)ethanamine.
What is the SMILES notation for N-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-ylmethyl)-1-(2-ethylpyrazol-3-yl)ethanamine?
The canonical SMILES for N-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-ylmethyl)-1-(2-ethylpyrazol-3-yl)ethanamine is CCn1nccc1C(C)NCc1nc2c(s1)COCC2.
What is the InChIKey of N-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-ylmethyl)-1-(2-ethylpyrazol-3-yl)ethanamine?
The InChIKey is WYOJIEZLVMLRJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4OS/c1-3-18-12(4-6-16-18)10(2)15-8-14-17-11-5-7-19-9-13(11)20-14/h4,6,10,15H,3,5,7-9H2,1-2H3.
What are the key properties of N-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-ylmethyl)-1-(2-ethylpyrazol-3-yl)ethanamine?
N-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-ylmethyl)-1-(2-ethylpyrazol-3-yl)ethanamine has a molecular weight of 292.41 g/mol, XLogP of 2.28, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-ylmethyl)-1-(2-ethylpyrazol-3-yl)ethanamine is sourced from PubChem (CID 146145007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).