N,N-dimethyl-3-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-2-yl)oxy]propan-1-amine

C12H21N3OS — CID 52947031

IUPACN,N-dimethyl-3-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-2-yl)oxy]propan-1-amine
SMILESCN(C)CCCOc1nc2c(s1)CCN(C)C2
InChIInChI=1S/C12H21N3OS/c1-14(2)6-4-8-16-12-13-10-9-15(3)7-5-11(10)17-12/h4-9H2,1-3H3
InChIKeyIBAPYGYDIFHHJS-UHFFFAOYSA-N
MW255.39 g/mol
LogP1.46
Rot. Bonds5

About N,N-dimethyl-3-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-2-yl)oxy]propan-1-amine

N,N-dimethyl-3-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-2-yl)oxy]propan-1-amine (PubChem CID 52947031) has the molecular formula C12H21N3OS and a molecular weight of 255.39 g/mol. Its IUPAC name is N,N-dimethyl-3-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-2-yl)oxy]propan-1-amine.

Molecular Properties

Compound NameN,N-dimethyl-3-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-2-yl)oxy]propan-1-amine
PubChem CID52947031
Molecular FormulaC12H21N3OS
Molecular Weight255.39 g/mol
Exact Mass255.14
IUPAC NameN,N-dimethyl-3-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-2-yl)oxy]propan-1-amine
SMILESCN(C)CCCOc1nc2c(s1)CCN(C)C2
InChIInChI=1S/C12H21N3OS/c1-14(2)6-4-8-16-12-13-10-9-15(3)7-5-11(10)17-12/h4-9H2,1-3H3
InChIKeyIBAPYGYDIFHHJS-UHFFFAOYSA-N
XLogP1.46
TPSA28.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.39
LogP ≤ 51.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-3-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-2-yl)oxy]propan-1-amine?
The IUPAC name of N,N-dimethyl-3-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-2-yl)oxy]propan-1-amine (CID 52947031) is N,N-dimethyl-3-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-2-yl)oxy]propan-1-amine.
What is the SMILES notation for N,N-dimethyl-3-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-2-yl)oxy]propan-1-amine?
The canonical SMILES for N,N-dimethyl-3-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-2-yl)oxy]propan-1-amine is CN(C)CCCOc1nc2c(s1)CCN(C)C2.
What is the InChIKey of N,N-dimethyl-3-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-2-yl)oxy]propan-1-amine?
The InChIKey is IBAPYGYDIFHHJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3OS/c1-14(2)6-4-8-16-12-13-10-9-15(3)7-5-11(10)17-12/h4-9H2,1-3H3.
What are the key properties of N,N-dimethyl-3-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-2-yl)oxy]propan-1-amine?
N,N-dimethyl-3-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-2-yl)oxy]propan-1-amine has a molecular weight of 255.39 g/mol, XLogP of 1.46, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-3-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-2-yl)oxy]propan-1-amine is sourced from PubChem (CID 52947031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).