N-ethyl-5-(6-methoxy-1,3-benzothiazol-2-yl)-N-methylpyridin-2-amine

C16H17N3OS — CID 24803889

IUPACN-ethyl-5-(6-methoxy-1,3-benzothiazol-2-yl)-N-methylpyridin-2-amine
SMILESCCN(C)c1ccc(-c2nc3ccc(OC)cc3s2)cn1
InChIInChI=1S/C16H17N3OS/c1-4-19(2)15-8-5-11(10-17-15)16-18-13-7-6-12(20-3)9-14(13)21-16/h5-10H,4H2,1-3H3
InChIKeyCRTCKQKGRVXBBU-UHFFFAOYSA-N
MW299.40 g/mol
LogP3.82
Rot. Bonds4

About N-ethyl-5-(6-methoxy-1,3-benzothiazol-2-yl)-N-methylpyridin-2-amine

N-ethyl-5-(6-methoxy-1,3-benzothiazol-2-yl)-N-methylpyridin-2-amine (PubChem CID 24803889) has the molecular formula C16H17N3OS and a molecular weight of 299.40 g/mol. Its IUPAC name is N-ethyl-5-(6-methoxy-1,3-benzothiazol-2-yl)-N-methylpyridin-2-amine.

Molecular Properties

Compound NameN-ethyl-5-(6-methoxy-1,3-benzothiazol-2-yl)-N-methylpyridin-2-amine
PubChem CID24803889
Molecular FormulaC16H17N3OS
Molecular Weight299.40 g/mol
Exact Mass299.11
IUPAC NameN-ethyl-5-(6-methoxy-1,3-benzothiazol-2-yl)-N-methylpyridin-2-amine
SMILESCCN(C)c1ccc(-c2nc3ccc(OC)cc3s2)cn1
InChIInChI=1S/C16H17N3OS/c1-4-19(2)15-8-5-11(10-17-15)16-18-13-7-6-12(20-3)9-14(13)21-16/h5-10H,4H2,1-3H3
InChIKeyCRTCKQKGRVXBBU-UHFFFAOYSA-N
XLogP3.82
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.40
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-5-(6-methoxy-1,3-benzothiazol-2-yl)-N-methylpyridin-2-amine?
The IUPAC name of N-ethyl-5-(6-methoxy-1,3-benzothiazol-2-yl)-N-methylpyridin-2-amine (CID 24803889) is N-ethyl-5-(6-methoxy-1,3-benzothiazol-2-yl)-N-methylpyridin-2-amine.
What is the SMILES notation for N-ethyl-5-(6-methoxy-1,3-benzothiazol-2-yl)-N-methylpyridin-2-amine?
The canonical SMILES for N-ethyl-5-(6-methoxy-1,3-benzothiazol-2-yl)-N-methylpyridin-2-amine is CCN(C)c1ccc(-c2nc3ccc(OC)cc3s2)cn1.
What is the InChIKey of N-ethyl-5-(6-methoxy-1,3-benzothiazol-2-yl)-N-methylpyridin-2-amine?
The InChIKey is CRTCKQKGRVXBBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3OS/c1-4-19(2)15-8-5-11(10-17-15)16-18-13-7-6-12(20-3)9-14(13)21-16/h5-10H,4H2,1-3H3.
What are the key properties of N-ethyl-5-(6-methoxy-1,3-benzothiazol-2-yl)-N-methylpyridin-2-amine?
N-ethyl-5-(6-methoxy-1,3-benzothiazol-2-yl)-N-methylpyridin-2-amine has a molecular weight of 299.40 g/mol, XLogP of 3.82, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-5-(6-methoxy-1,3-benzothiazol-2-yl)-N-methylpyridin-2-amine is sourced from PubChem (CID 24803889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).