N-ethyl-5-[4-(6-methoxy-1,3-benzothiazol-2-yl)phenyl]pyridin-2-amine

C21H19N3OS — CID 146253209

IUPACN-ethyl-5-[4-(6-methoxy-1,3-benzothiazol-2-yl)phenyl]pyridin-2-amine
SMILESCCNc1ccc(-c2ccc(-c3nc4ccc(OC)cc4s3)cc2)cn1
InChIInChI=1S/C21H19N3OS/c1-3-22-20-11-8-16(13-23-20)14-4-6-15(7-5-14)21-24-18-10-9-17(25-2)12-19(18)26-21/h4-13H,3H2,1-2H3,(H,22,23)
InChIKeyOWOWIHXRGVNJNB-UHFFFAOYSA-N
MW361.47 g/mol
LogP5.47
Rot. Bonds5

About N-ethyl-5-[4-(6-methoxy-1,3-benzothiazol-2-yl)phenyl]pyridin-2-amine

N-ethyl-5-[4-(6-methoxy-1,3-benzothiazol-2-yl)phenyl]pyridin-2-amine (PubChem CID 146253209) has the molecular formula C21H19N3OS and a molecular weight of 361.47 g/mol. Its IUPAC name is N-ethyl-5-[4-(6-methoxy-1,3-benzothiazol-2-yl)phenyl]pyridin-2-amine.

Molecular Properties

Compound NameN-ethyl-5-[4-(6-methoxy-1,3-benzothiazol-2-yl)phenyl]pyridin-2-amine
PubChem CID146253209
Molecular FormulaC21H19N3OS
Molecular Weight361.47 g/mol
Exact Mass361.12
IUPAC NameN-ethyl-5-[4-(6-methoxy-1,3-benzothiazol-2-yl)phenyl]pyridin-2-amine
SMILESCCNc1ccc(-c2ccc(-c3nc4ccc(OC)cc4s3)cc2)cn1
InChIInChI=1S/C21H19N3OS/c1-3-22-20-11-8-16(13-23-20)14-4-6-15(7-5-14)21-24-18-10-9-17(25-2)12-19(18)26-21/h4-13H,3H2,1-2H3,(H,22,23)
InChIKeyOWOWIHXRGVNJNB-UHFFFAOYSA-N
XLogP5.47
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500361.47
LogP ≤ 55.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-(4-ethoxyphenyl)phenyl]-6-methoxy-1,3-benzothiazole
CID 146253203
2-(4-tert-butylphenyl)-6-methoxy-1,3-benzothiazole
CID 101474681
5-(6-methoxy-1,3-benzothiazol-2-yl)-N-methylpyrimidin-2-amine
CID 24804067
5-(6-methoxy-1,3-benzothiazol-2-yl)pyrimidin-2-amine
CID 24804069
6-methoxy-2-[4-(trifluoromethyl)phenyl]-1,3-benzothiazole
CID 11255311
2-(4-methoxyphenyl)-6-methyl-1,3-benzothiazole
CID 12939261
6-methoxy-2-[4-[10-[4-(6-methoxy-1,3-benzothiazol-2-yl)phenyl]anthracen-9-yl]phenyl]-1,3-benzothiazole
CID 22960185
N-[4-(6-methoxy-1,3-benzothiazol-2-yl)phenyl]acetamide
CID 46845966
N-[4-(6-methoxy-1,3-benzothiazol-2-yl)phenyl]formamide
CID 57381913
[[5-(6-methoxy-1,3-benzothiazol-2-yl)-2-pyridinyl]-[tris(sulfanyl)methyl]amino]methanetrithiol
CID 143516895
2,6-bis(4-methoxyphenyl)-[1,3]thiazolo[4,5-f][1,3]benzothiazole
CID 58983612
2,6-dichloro-4-(6-methoxy-1,3-benzothiazol-2-yl)aniline
CID 82830716

Frequently Asked Questions

What is the IUPAC name of N-ethyl-5-[4-(6-methoxy-1,3-benzothiazol-2-yl)phenyl]pyridin-2-amine?
The IUPAC name of N-ethyl-5-[4-(6-methoxy-1,3-benzothiazol-2-yl)phenyl]pyridin-2-amine (CID 146253209) is N-ethyl-5-[4-(6-methoxy-1,3-benzothiazol-2-yl)phenyl]pyridin-2-amine.
What is the SMILES notation for N-ethyl-5-[4-(6-methoxy-1,3-benzothiazol-2-yl)phenyl]pyridin-2-amine?
The canonical SMILES for N-ethyl-5-[4-(6-methoxy-1,3-benzothiazol-2-yl)phenyl]pyridin-2-amine is CCNc1ccc(-c2ccc(-c3nc4ccc(OC)cc4s3)cc2)cn1.
What is the InChIKey of N-ethyl-5-[4-(6-methoxy-1,3-benzothiazol-2-yl)phenyl]pyridin-2-amine?
The InChIKey is OWOWIHXRGVNJNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N3OS/c1-3-22-20-11-8-16(13-23-20)14-4-6-15(7-5-14)21-24-18-10-9-17(25-2)12-19(18)26-21/h4-13H,3H2,1-2H3,(H,22,23).
What are the key properties of N-ethyl-5-[4-(6-methoxy-1,3-benzothiazol-2-yl)phenyl]pyridin-2-amine?
N-ethyl-5-[4-(6-methoxy-1,3-benzothiazol-2-yl)phenyl]pyridin-2-amine has a molecular weight of 361.47 g/mol, XLogP of 5.47, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-5-[4-(6-methoxy-1,3-benzothiazol-2-yl)phenyl]pyridin-2-amine is sourced from PubChem (CID 146253209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).