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

C13H20N4S — CID 2123626

IUPAC5-methyl-N-(3,4,5,6-tetrahydro-2H-azepin-7-yl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-amine
SMILESCN1CCc2nc(NC3=NCCCCC3)sc2C1
InChIInChI=1S/C13H20N4S/c1-17-8-6-10-11(9-17)18-13(15-10)16-12-5-3-2-4-7-14-12/h2-9H2,1H3,(H,14,15,16)
InChIKeyGVQBNVYMJZBRMO-UHFFFAOYSA-N
MW264.40 g/mol
LogP2.52
Rot. Bonds1

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

5-methyl-N-(3,4,5,6-tetrahydro-2H-azepin-7-yl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-amine (PubChem CID 2123626) has the molecular formula C13H20N4S and a molecular weight of 264.40 g/mol. Its IUPAC name is 5-methyl-N-(3,4,5,6-tetrahydro-2H-azepin-7-yl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-amine.

Molecular Properties

Compound Name5-methyl-N-(3,4,5,6-tetrahydro-2H-azepin-7-yl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-amine
PubChem CID2123626
Molecular FormulaC13H20N4S
Molecular Weight264.40 g/mol
Exact Mass264.14
IUPAC Name5-methyl-N-(3,4,5,6-tetrahydro-2H-azepin-7-yl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-amine
SMILESCN1CCc2nc(NC3=NCCCCC3)sc2C1
InChIInChI=1S/C13H20N4S/c1-17-8-6-10-11(9-17)18-13(15-10)16-12-5-3-2-4-7-14-12/h2-9H2,1H3,(H,14,15,16)
InChIKeyGVQBNVYMJZBRMO-UHFFFAOYSA-N
XLogP2.52
TPSA40.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.40
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-(3,4,5,6-tetrahydro-2H-azepin-7-yl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-amine?
The IUPAC name of 5-methyl-N-(3,4,5,6-tetrahydro-2H-azepin-7-yl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-amine (CID 2123626) is 5-methyl-N-(3,4,5,6-tetrahydro-2H-azepin-7-yl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-amine.
What is the SMILES notation for 5-methyl-N-(3,4,5,6-tetrahydro-2H-azepin-7-yl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-amine?
The canonical SMILES for 5-methyl-N-(3,4,5,6-tetrahydro-2H-azepin-7-yl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-amine is CN1CCc2nc(NC3=NCCCCC3)sc2C1.
What is the InChIKey of 5-methyl-N-(3,4,5,6-tetrahydro-2H-azepin-7-yl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-amine?
The InChIKey is GVQBNVYMJZBRMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4S/c1-17-8-6-10-11(9-17)18-13(15-10)16-12-5-3-2-4-7-14-12/h2-9H2,1H3,(H,14,15,16).
What are the key properties of 5-methyl-N-(3,4,5,6-tetrahydro-2H-azepin-7-yl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-amine?
5-methyl-N-(3,4,5,6-tetrahydro-2H-azepin-7-yl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-amine has a molecular weight of 264.40 g/mol, XLogP of 2.52, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-(3,4,5,6-tetrahydro-2H-azepin-7-yl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-amine is sourced from PubChem (CID 2123626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).