N,6-dimethyl-N-[(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methyl]-1,3-benzothiazol-2-amine

C17H15N5OS — CID 70784779

IUPACN,6-dimethyl-N-[(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methyl]-1,3-benzothiazol-2-amine
SMILESCc1ccc2nc(N(C)Cc3nc(-c4ccccn4)no3)sc2c1
InChIInChI=1S/C17H15N5OS/c1-11-6-7-12-14(9-11)24-17(19-12)22(2)10-15-20-16(21-23-15)13-5-3-4-8-18-13/h3-9H,10H2,1-2H3
InChIKeyYSZNDEGBAOMGOI-UHFFFAOYSA-N
MW337.41 g/mol
LogP3.69
Rot. Bonds4

About N,6-dimethyl-N-[(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methyl]-1,3-benzothiazol-2-amine

N,6-dimethyl-N-[(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methyl]-1,3-benzothiazol-2-amine (PubChem CID 70784779) has the molecular formula C17H15N5OS and a molecular weight of 337.41 g/mol. Its IUPAC name is N,6-dimethyl-N-[(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methyl]-1,3-benzothiazol-2-amine.

Molecular Properties

Compound NameN,6-dimethyl-N-[(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methyl]-1,3-benzothiazol-2-amine
PubChem CID70784779
Molecular FormulaC17H15N5OS
Molecular Weight337.41 g/mol
Exact Mass337.10
IUPAC NameN,6-dimethyl-N-[(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methyl]-1,3-benzothiazol-2-amine
SMILESCc1ccc2nc(N(C)Cc3nc(-c4ccccn4)no3)sc2c1
InChIInChI=1S/C17H15N5OS/c1-11-6-7-12-14(9-11)24-17(19-12)22(2)10-15-20-16(21-23-15)13-5-3-4-8-18-13/h3-9H,10H2,1-2H3
InChIKeyYSZNDEGBAOMGOI-UHFFFAOYSA-N
XLogP3.69
TPSA67.94 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.41
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N,6-dimethyl-N-[(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methyl]-1,3-benzothiazol-2-amine?
The IUPAC name of N,6-dimethyl-N-[(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methyl]-1,3-benzothiazol-2-amine (CID 70784779) is N,6-dimethyl-N-[(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methyl]-1,3-benzothiazol-2-amine.
What is the SMILES notation for N,6-dimethyl-N-[(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methyl]-1,3-benzothiazol-2-amine?
The canonical SMILES for N,6-dimethyl-N-[(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methyl]-1,3-benzothiazol-2-amine is Cc1ccc2nc(N(C)Cc3nc(-c4ccccn4)no3)sc2c1.
What is the InChIKey of N,6-dimethyl-N-[(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methyl]-1,3-benzothiazol-2-amine?
The InChIKey is YSZNDEGBAOMGOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N5OS/c1-11-6-7-12-14(9-11)24-17(19-12)22(2)10-15-20-16(21-23-15)13-5-3-4-8-18-13/h3-9H,10H2,1-2H3.
What are the key properties of N,6-dimethyl-N-[(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methyl]-1,3-benzothiazol-2-amine?
N,6-dimethyl-N-[(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methyl]-1,3-benzothiazol-2-amine has a molecular weight of 337.41 g/mol, XLogP of 3.69, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N,6-dimethyl-N-[(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methyl]-1,3-benzothiazol-2-amine is sourced from PubChem (CID 70784779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).