N-[[5-(1,3-benzothiazol-2-yl)furan-2-yl]methyl]-2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine

C20H21N5OS — CID 119127535

IUPACN-[[5-(1,3-benzothiazol-2-yl)furan-2-yl]methyl]-2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine
SMILESCCc1nc2n(n1)CC(NCc1ccc(-c3nc4ccccc4s3)o1)CC2
InChIInChI=1S/C20H21N5OS/c1-2-18-23-19-10-7-13(12-25(19)24-18)21-11-14-8-9-16(26-14)20-22-15-5-3-4-6-17(15)27-20/h3-6,8-9,13,21H,2,7,10-12H2,1H3
InChIKeyHAULQQLXJAHXMB-UHFFFAOYSA-N
MW379.49 g/mol
LogP3.81
Rot. Bonds5

About N-[[5-(1,3-benzothiazol-2-yl)furan-2-yl]methyl]-2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine

N-[[5-(1,3-benzothiazol-2-yl)furan-2-yl]methyl]-2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine (PubChem CID 119127535) has the molecular formula C20H21N5OS and a molecular weight of 379.49 g/mol. Its IUPAC name is N-[[5-(1,3-benzothiazol-2-yl)furan-2-yl]methyl]-2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine.

Molecular Properties

Compound NameN-[[5-(1,3-benzothiazol-2-yl)furan-2-yl]methyl]-2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine
PubChem CID119127535
Molecular FormulaC20H21N5OS
Molecular Weight379.49 g/mol
Exact Mass379.15
IUPAC NameN-[[5-(1,3-benzothiazol-2-yl)furan-2-yl]methyl]-2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine
SMILESCCc1nc2n(n1)CC(NCc1ccc(-c3nc4ccccc4s3)o1)CC2
InChIInChI=1S/C20H21N5OS/c1-2-18-23-19-10-7-13(12-25(19)24-18)21-11-14-8-9-16(26-14)20-22-15-5-3-4-6-17(15)27-20/h3-6,8-9,13,21H,2,7,10-12H2,1H3
InChIKeyHAULQQLXJAHXMB-UHFFFAOYSA-N
XLogP3.81
TPSA68.77 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.49
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-[[5-(1,3-benzothiazol-2-yl)furan-2-yl]methyl]-2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[[5-(1,3-benzothiazol-2-yl)furan-2-yl]methyl]-2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine?
The IUPAC name of N-[[5-(1,3-benzothiazol-2-yl)furan-2-yl]methyl]-2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine (CID 119127535) is N-[[5-(1,3-benzothiazol-2-yl)furan-2-yl]methyl]-2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine.
What is the SMILES notation for N-[[5-(1,3-benzothiazol-2-yl)furan-2-yl]methyl]-2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine?
The canonical SMILES for N-[[5-(1,3-benzothiazol-2-yl)furan-2-yl]methyl]-2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine is CCc1nc2n(n1)CC(NCc1ccc(-c3nc4ccccc4s3)o1)CC2.
What is the InChIKey of N-[[5-(1,3-benzothiazol-2-yl)furan-2-yl]methyl]-2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine?
The InChIKey is HAULQQLXJAHXMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N5OS/c1-2-18-23-19-10-7-13(12-25(19)24-18)21-11-14-8-9-16(26-14)20-22-15-5-3-4-6-17(15)27-20/h3-6,8-9,13,21H,2,7,10-12H2,1H3.
What are the key properties of N-[[5-(1,3-benzothiazol-2-yl)furan-2-yl]methyl]-2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine?
N-[[5-(1,3-benzothiazol-2-yl)furan-2-yl]methyl]-2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine has a molecular weight of 379.49 g/mol, XLogP of 3.81, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(1,3-benzothiazol-2-yl)furan-2-yl]methyl]-2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine is sourced from PubChem (CID 119127535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).