2-[6-((111C)methylamino)-3-pyridinyl]-1,3-benzothiazol-6-ol

C13H11N3OS — CID 24804396

IUPAC2-[6-((111C)methylamino)-3-pyridinyl]-1,3-benzothiazol-6-ol
SMILES[11CH3]Nc1ccc(-c2nc3ccc(O)cc3s2)cn1
InChIInChI=1S/C13H11N3OS/c1-14-12-5-2-8(7-15-12)13-16-10-4-3-9(17)6-11(10)18-13/h2-7,17H,1H3,(H,14,15)/i1-1
InChIKeyFYTAUNFPOYWHBC-BJUDXGSMSA-N
MW256.32 g/mol
LogP3.11
Rot. Bonds2

About 2-[6-((111C)methylamino)-3-pyridinyl]-1,3-benzothiazol-6-ol

2-[6-((111C)methylamino)-3-pyridinyl]-1,3-benzothiazol-6-ol (PubChem CID 24804396) has the molecular formula C13H11N3OS and a molecular weight of 256.32 g/mol. Its IUPAC name is 2-[6-((111C)methylamino)-3-pyridinyl]-1,3-benzothiazol-6-ol.

Molecular Properties

Compound Name2-[6-((111C)methylamino)-3-pyridinyl]-1,3-benzothiazol-6-ol
PubChem CID24804396
Molecular FormulaC13H11N3OS
Molecular Weight256.32 g/mol
Exact Mass256.07
IUPAC Name2-[6-((111C)methylamino)-3-pyridinyl]-1,3-benzothiazol-6-ol
SMILES[11CH3]Nc1ccc(-c2nc3ccc(O)cc3s2)cn1
InChIInChI=1S/C13H11N3OS/c1-14-12-5-2-8(7-15-12)13-16-10-4-3-9(17)6-11(10)18-13/h2-7,17H,1H3,(H,14,15)/i1-1
InChIKeyFYTAUNFPOYWHBC-BJUDXGSMSA-N
XLogP3.11
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.32
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-{[4-(3-Pyridinyl)-1,3-thiazol-2-yl]amino}phenol
CID 704553
Azd-2184
CID 16663275
4-[4-(2,4-Dimethyl-thiazol-5-yl)-pyrimidin-2-ylamino]phenol
CID 6539291
6-Methoxy-N-(3-pyridinylmethyl)-2-benzothiazolamine
CID 834526
4-{[4-(4-Pyridinyl)-1,3-thiazol-2-yl]amino}phenol
CID 704494
3-Methyl-4-(4-pyridin-3-yl-thiazol-2-ylamino)-phenol
CID 973002
6-methoxy-N-(4-(pyridin-4-yl)thiazol-2-yl)benzo[d]thiazol-2-amine
CID 7086347
4,7-Dimethyl-2-[(3-pyridinylmethyl)amino]-1,3-benzothiazol-6-ol
CID 10334136
5-(6-methoxybenzo[d]thiazol-2-yl)-N,N-dimethylpyridin-2-amine
CID 24757878
2-[6-(Methylamino)pyridin-3-yl]-1,3-benzothiazol-5-ol
CID 24803728
2-[2-(Dimethylamino)pyrimidin-5-yl]-1,3-benzothiazol-6-ol
CID 24804066
2-[2-(Methylamino)pyrimidin-5-yl]-1,3-benzothiazol-6-ol
CID 24804068

Frequently Asked Questions

What is the IUPAC name of 2-[6-((111C)methylamino)-3-pyridinyl]-1,3-benzothiazol-6-ol?
The IUPAC name of 2-[6-((111C)methylamino)-3-pyridinyl]-1,3-benzothiazol-6-ol (CID 24804396) is 2-[6-((111C)methylamino)-3-pyridinyl]-1,3-benzothiazol-6-ol.
What is the SMILES notation for 2-[6-((111C)methylamino)-3-pyridinyl]-1,3-benzothiazol-6-ol?
The canonical SMILES for 2-[6-((111C)methylamino)-3-pyridinyl]-1,3-benzothiazol-6-ol is [11CH3]Nc1ccc(-c2nc3ccc(O)cc3s2)cn1.
What is the InChIKey of 2-[6-((111C)methylamino)-3-pyridinyl]-1,3-benzothiazol-6-ol?
The InChIKey is FYTAUNFPOYWHBC-BJUDXGSMSA-N. The full InChI is InChI=1S/C13H11N3OS/c1-14-12-5-2-8(7-15-12)13-16-10-4-3-9(17)6-11(10)18-13/h2-7,17H,1H3,(H,14,15)/i1-1.
What are the key properties of 2-[6-((111C)methylamino)-3-pyridinyl]-1,3-benzothiazol-6-ol?
2-[6-((111C)methylamino)-3-pyridinyl]-1,3-benzothiazol-6-ol has a molecular weight of 256.32 g/mol, XLogP of 3.11, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-((111C)methylamino)-3-pyridinyl]-1,3-benzothiazol-6-ol is sourced from PubChem (CID 24804396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).