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

C16H21N3S — CID 106820673

IUPACN-methyl-2-(5-phenyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)propan-1-amine
SMILESCNCC(C)c1nc2c(s1)CN(c1ccccc1)CC2
InChIInChI=1S/C16H21N3S/c1-12(10-17-2)16-18-14-8-9-19(11-15(14)20-16)13-6-4-3-5-7-13/h3-7,12,17H,8-11H2,1-2H3
InChIKeyFQQCYBXPXDQAQS-UHFFFAOYSA-N
MW287.43 g/mol
LogP3.03
Rot. Bonds4

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

N-methyl-2-(5-phenyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)propan-1-amine (PubChem CID 106820673) has the molecular formula C16H21N3S and a molecular weight of 287.43 g/mol. Its IUPAC name is N-methyl-2-(5-phenyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)propan-1-amine.

Molecular Properties

Compound NameN-methyl-2-(5-phenyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)propan-1-amine
PubChem CID106820673
Molecular FormulaC16H21N3S
Molecular Weight287.43 g/mol
Exact Mass287.15
IUPAC NameN-methyl-2-(5-phenyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)propan-1-amine
SMILESCNCC(C)c1nc2c(s1)CN(c1ccccc1)CC2
InChIInChI=1S/C16H21N3S/c1-12(10-17-2)16-18-14-8-9-19(11-15(14)20-16)13-6-4-3-5-7-13/h3-7,12,17H,8-11H2,1-2H3
InChIKeyFQQCYBXPXDQAQS-UHFFFAOYSA-N
XLogP3.03
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.43
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-methyl-2-(5-phenyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)propan-1-amine?
The IUPAC name of N-methyl-2-(5-phenyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)propan-1-amine (CID 106820673) is N-methyl-2-(5-phenyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)propan-1-amine.
What is the SMILES notation for N-methyl-2-(5-phenyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)propan-1-amine?
The canonical SMILES for N-methyl-2-(5-phenyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)propan-1-amine is CNCC(C)c1nc2c(s1)CN(c1ccccc1)CC2.
What is the InChIKey of N-methyl-2-(5-phenyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)propan-1-amine?
The InChIKey is FQQCYBXPXDQAQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3S/c1-12(10-17-2)16-18-14-8-9-19(11-15(14)20-16)13-6-4-3-5-7-13/h3-7,12,17H,8-11H2,1-2H3.
What are the key properties of N-methyl-2-(5-phenyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)propan-1-amine?
N-methyl-2-(5-phenyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)propan-1-amine has a molecular weight of 287.43 g/mol, XLogP of 3.03, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-(5-phenyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)propan-1-amine is sourced from PubChem (CID 106820673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).