1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-1-(6-methoxy-3-pyridinyl)-N-methylmethanamine

C14H17N3OS — CID 114937723

IUPAC1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-1-(6-methoxy-3-pyridinyl)-N-methylmethanamine
SMILESCNC(c1ccc(OC)nc1)c1nc2c(s1)CCC2
InChIInChI=1S/C14H17N3OS/c1-15-13(9-6-7-12(18-2)16-8-9)14-17-10-4-3-5-11(10)19-14/h6-8,13,15H,3-5H2,1-2H3
InChIKeyVBHGLUOVCNGNDX-UHFFFAOYSA-N
MW275.38 g/mol
LogP2.34
Rot. Bonds4

About 1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-1-(6-methoxy-3-pyridinyl)-N-methylmethanamine

1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-1-(6-methoxy-3-pyridinyl)-N-methylmethanamine (PubChem CID 114937723) has the molecular formula C14H17N3OS and a molecular weight of 275.38 g/mol. Its IUPAC name is 1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-1-(6-methoxy-3-pyridinyl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-1-(6-methoxy-3-pyridinyl)-N-methylmethanamine
PubChem CID114937723
Molecular FormulaC14H17N3OS
Molecular Weight275.38 g/mol
Exact Mass275.11
IUPAC Name1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-1-(6-methoxy-3-pyridinyl)-N-methylmethanamine
SMILESCNC(c1ccc(OC)nc1)c1nc2c(s1)CCC2
InChIInChI=1S/C14H17N3OS/c1-15-13(9-6-7-12(18-2)16-8-9)14-17-10-4-3-5-11(10)19-14/h6-8,13,15H,3-5H2,1-2H3
InChIKeyVBHGLUOVCNGNDX-UHFFFAOYSA-N
XLogP2.34
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.38
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-1-(6-methoxy-3-pyridinyl)-N-methylmethanamine?
The IUPAC name of 1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-1-(6-methoxy-3-pyridinyl)-N-methylmethanamine (CID 114937723) is 1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-1-(6-methoxy-3-pyridinyl)-N-methylmethanamine.
What is the SMILES notation for 1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-1-(6-methoxy-3-pyridinyl)-N-methylmethanamine?
The canonical SMILES for 1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-1-(6-methoxy-3-pyridinyl)-N-methylmethanamine is CNC(c1ccc(OC)nc1)c1nc2c(s1)CCC2.
What is the InChIKey of 1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-1-(6-methoxy-3-pyridinyl)-N-methylmethanamine?
The InChIKey is VBHGLUOVCNGNDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3OS/c1-15-13(9-6-7-12(18-2)16-8-9)14-17-10-4-3-5-11(10)19-14/h6-8,13,15H,3-5H2,1-2H3.
What are the key properties of 1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-1-(6-methoxy-3-pyridinyl)-N-methylmethanamine?
1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-1-(6-methoxy-3-pyridinyl)-N-methylmethanamine has a molecular weight of 275.38 g/mol, XLogP of 2.34, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-1-(6-methoxy-3-pyridinyl)-N-methylmethanamine is sourced from PubChem (CID 114937723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).