(1S)-N,N-dimethyl-1-[4-([1,3]thiazolo[5,4-b]pyridin-6-yl)phenyl]ethanamine

C16H17N3S — CID 126447950

IUPAC(1S)-N,N-dimethyl-1-[4-([1,3]thiazolo[5,4-b]pyridin-6-yl)phenyl]ethanamine
SMILESC[C@@H](c1ccc(-c2cnc3scnc3c2)cc1)N(C)C
InChIInChI=1S/C16H17N3S/c1-11(19(2)3)12-4-6-13(7-5-12)14-8-15-16(17-9-14)20-10-18-15/h4-11H,1-3H3/t11-/m0/s1
InChIKeyWAOYEWZOFFJZJH-NSHDSACASA-N
MW283.40 g/mol
LogP3.98
Rot. Bonds3

About (1S)-N,N-dimethyl-1-[4-([1,3]thiazolo[5,4-b]pyridin-6-yl)phenyl]ethanamine

(1S)-N,N-dimethyl-1-[4-([1,3]thiazolo[5,4-b]pyridin-6-yl)phenyl]ethanamine (PubChem CID 126447950) has the molecular formula C16H17N3S and a molecular weight of 283.40 g/mol. Its IUPAC name is (1S)-N,N-dimethyl-1-[4-([1,3]thiazolo[5,4-b]pyridin-6-yl)phenyl]ethanamine.

Molecular Properties

Compound Name(1S)-N,N-dimethyl-1-[4-([1,3]thiazolo[5,4-b]pyridin-6-yl)phenyl]ethanamine
PubChem CID126447950
Molecular FormulaC16H17N3S
Molecular Weight283.40 g/mol
Exact Mass283.11
IUPAC Name(1S)-N,N-dimethyl-1-[4-([1,3]thiazolo[5,4-b]pyridin-6-yl)phenyl]ethanamine
SMILESC[C@@H](c1ccc(-c2cnc3scnc3c2)cc1)N(C)C
InChIInChI=1S/C16H17N3S/c1-11(19(2)3)12-4-6-13(7-5-12)14-8-15-16(17-9-14)20-10-18-15/h4-11H,1-3H3/t11-/m0/s1
InChIKeyWAOYEWZOFFJZJH-NSHDSACASA-N
XLogP3.98
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.40
LogP ≤ 53.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

Fatostatin
CID 1889993
4-Phenyl-2-(4-pyridyl)thiazole
CID 738483
2-Phenyl-5-(2-methylthiazol-4ylethynyl)pyridine
CID 44392990
dimethyl(2-{3-[5-(thiophen-3-yl)pyridin-3-yl]-1H-indol-1-yl}ethyl)amine
CID 5329362
4-[2-Ethyl-4-(3-methylphenyl)-1,3-thiazol-5-yl]pyridine
CID 11277481
4-(Benzo[d]thiazol-2-yl)-1-benzylpyridin-1-ium bromide
CID 44660009
2-(3-Pyridyl)benzothiazole
CID 235922
2-(2-Propylpyridin-4-yl)-4-p-tolylthiazole hydrobromide
CID 2850562
4-(4-Methylphenyl)-2-pyridin-4-yl-1,3-thiazole
CID 715106
4-[4-(4-Fluorophenyl)-1,3-thiazol-2-yl]-2-propylpyridine
CID 5306660
4-(2-Ethyl-4-m-tolyl-thiazol-5-yl)-2-methyl-pyridine
CID 11551077
Dimethyl-[2-(6-thiophen-3-yl-indol-1-yl)-ethyl]-amine
CID 18007589

Frequently Asked Questions

What is the IUPAC name of (1S)-N,N-dimethyl-1-[4-([1,3]thiazolo[5,4-b]pyridin-6-yl)phenyl]ethanamine?
The IUPAC name of (1S)-N,N-dimethyl-1-[4-([1,3]thiazolo[5,4-b]pyridin-6-yl)phenyl]ethanamine (CID 126447950) is (1S)-N,N-dimethyl-1-[4-([1,3]thiazolo[5,4-b]pyridin-6-yl)phenyl]ethanamine.
What is the SMILES notation for (1S)-N,N-dimethyl-1-[4-([1,3]thiazolo[5,4-b]pyridin-6-yl)phenyl]ethanamine?
The canonical SMILES for (1S)-N,N-dimethyl-1-[4-([1,3]thiazolo[5,4-b]pyridin-6-yl)phenyl]ethanamine is C[C@@H](c1ccc(-c2cnc3scnc3c2)cc1)N(C)C.
What is the InChIKey of (1S)-N,N-dimethyl-1-[4-([1,3]thiazolo[5,4-b]pyridin-6-yl)phenyl]ethanamine?
The InChIKey is WAOYEWZOFFJZJH-NSHDSACASA-N. The full InChI is InChI=1S/C16H17N3S/c1-11(19(2)3)12-4-6-13(7-5-12)14-8-15-16(17-9-14)20-10-18-15/h4-11H,1-3H3/t11-/m0/s1.
What are the key properties of (1S)-N,N-dimethyl-1-[4-([1,3]thiazolo[5,4-b]pyridin-6-yl)phenyl]ethanamine?
(1S)-N,N-dimethyl-1-[4-([1,3]thiazolo[5,4-b]pyridin-6-yl)phenyl]ethanamine has a molecular weight of 283.40 g/mol, XLogP of 3.98, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-N,N-dimethyl-1-[4-([1,3]thiazolo[5,4-b]pyridin-6-yl)phenyl]ethanamine is sourced from PubChem (CID 126447950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).