5-methoxy-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)-1,3-benzothiazol-2-amine

C16H12N4OS2 — CID 43968995

IUPAC5-methoxy-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)-1,3-benzothiazol-2-amine
SMILESCOc1ccc2sc(Nc3nc(-c4ccncc4)cs3)nc2c1
InChIInChI=1S/C16H12N4OS2/c1-21-11-2-3-14-12(8-11)18-16(23-14)20-15-19-13(9-22-15)10-4-6-17-7-5-10/h2-9H,1H3,(H,18,19,20)
InChIKeyQMGXLURITWYSOT-UHFFFAOYSA-N
MW340.43 g/mol
LogP4.57
Rot. Bonds4

About 5-methoxy-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)-1,3-benzothiazol-2-amine

5-methoxy-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)-1,3-benzothiazol-2-amine (PubChem CID 43968995) has the molecular formula C16H12N4OS2 and a molecular weight of 340.43 g/mol. Its IUPAC name is 5-methoxy-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)-1,3-benzothiazol-2-amine.

Molecular Properties

Compound Name5-methoxy-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)-1,3-benzothiazol-2-amine
PubChem CID43968995
Molecular FormulaC16H12N4OS2
Molecular Weight340.43 g/mol
Exact Mass340.05
IUPAC Name5-methoxy-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)-1,3-benzothiazol-2-amine
SMILESCOc1ccc2sc(Nc3nc(-c4ccncc4)cs3)nc2c1
InChIInChI=1S/C16H12N4OS2/c1-21-11-2-3-14-12(8-11)18-16(23-14)20-15-19-13(9-22-15)10-4-6-17-7-5-10/h2-9H,1H3,(H,18,19,20)
InChIKeyQMGXLURITWYSOT-UHFFFAOYSA-N
XLogP4.57
TPSA59.93 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.43
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

5-methoxy-N-(4-phenyl-1,3-thiazol-2-yl)-1,3-benzothiazol-2-amine
CID 7513043
5-methoxy-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)-1,3-benzothiazol-2-amine
CID 7513050
5-methoxy-N-[4-(4-methoxy-3-methylphenyl)-1,3-thiazol-2-yl]-1,3-benzothiazol-2-amine
CID 7513064
N-[4-(2,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-5-methoxy-1,3-benzothiazol-2-amine
CID 7513120
N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]-5,6-dimethoxy-1,3-benzothiazol-2-amine
CID 8544319
6-methoxy-N-[4-(3-nitrophenyl)-1,3-thiazol-2-yl]-1,3-benzothiazol-2-amine
CID 117071543
5-methoxy-N-(3-methoxyphenyl)-1,3-benzothiazol-2-amine
CID 7489943
N-[4-(4-ethoxyphenyl)-1,3-thiazol-2-yl]-6-methylsulfanyl-1,3-benzothiazol-2-amine
CID 8544618
[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]hydrazine
CID 5211248
N-(2,3-dichlorophenyl)-5-methoxy-1,3-benzothiazol-2-amine
CID 7513168
N-[(E)-(2-chloro-6-methoxyquinolin-3-yl)methylideneamino]-4-pyridin-4-yl-1,3-thiazol-2-amine
CID 170903101
5-methoxy-N-prop-2-ynyl-1,3-benzothiazol-2-amine
CID 45077219

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)-1,3-benzothiazol-2-amine?
The IUPAC name of 5-methoxy-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)-1,3-benzothiazol-2-amine (CID 43968995) is 5-methoxy-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)-1,3-benzothiazol-2-amine.
What is the SMILES notation for 5-methoxy-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)-1,3-benzothiazol-2-amine?
The canonical SMILES for 5-methoxy-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)-1,3-benzothiazol-2-amine is COc1ccc2sc(Nc3nc(-c4ccncc4)cs3)nc2c1.
What is the InChIKey of 5-methoxy-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)-1,3-benzothiazol-2-amine?
The InChIKey is QMGXLURITWYSOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12N4OS2/c1-21-11-2-3-14-12(8-11)18-16(23-14)20-15-19-13(9-22-15)10-4-6-17-7-5-10/h2-9H,1H3,(H,18,19,20).
What are the key properties of 5-methoxy-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)-1,3-benzothiazol-2-amine?
5-methoxy-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)-1,3-benzothiazol-2-amine has a molecular weight of 340.43 g/mol, XLogP of 4.57, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)-1,3-benzothiazol-2-amine is sourced from PubChem (CID 43968995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).