6-(5,6-dimethoxy-3-pyridinyl)-N-pyrazin-2-yl-1,3-benzothiazol-2-amine

C18H15N5O2S — CID 88563807

IUPAC6-(5,6-dimethoxy-3-pyridinyl)-N-pyrazin-2-yl-1,3-benzothiazol-2-amine
SMILESCOc1cc(-c2ccc3nc(Nc4cnccn4)sc3c2)cnc1OC
InChIInChI=1S/C18H15N5O2S/c1-24-14-7-12(9-21-17(14)25-2)11-3-4-13-15(8-11)26-18(22-13)23-16-10-19-5-6-20-16/h3-10H,1-2H3,(H,20,22,23)
InChIKeyMQPRJHZQGXOLDA-UHFFFAOYSA-N
MW365.42 g/mol
LogP3.91
Rot. Bonds5

About 6-(5,6-dimethoxy-3-pyridinyl)-N-pyrazin-2-yl-1,3-benzothiazol-2-amine

6-(5,6-dimethoxy-3-pyridinyl)-N-pyrazin-2-yl-1,3-benzothiazol-2-amine (PubChem CID 88563807) has the molecular formula C18H15N5O2S and a molecular weight of 365.42 g/mol. Its IUPAC name is 6-(5,6-dimethoxy-3-pyridinyl)-N-pyrazin-2-yl-1,3-benzothiazol-2-amine.

Molecular Properties

Compound Name6-(5,6-dimethoxy-3-pyridinyl)-N-pyrazin-2-yl-1,3-benzothiazol-2-amine
PubChem CID88563807
Molecular FormulaC18H15N5O2S
Molecular Weight365.42 g/mol
Exact Mass365.09
IUPAC Name6-(5,6-dimethoxy-3-pyridinyl)-N-pyrazin-2-yl-1,3-benzothiazol-2-amine
SMILESCOc1cc(-c2ccc3nc(Nc4cnccn4)sc3c2)cnc1OC
InChIInChI=1S/C18H15N5O2S/c1-24-14-7-12(9-21-17(14)25-2)11-3-4-13-15(8-11)26-18(22-13)23-16-10-19-5-6-20-16/h3-10H,1-2H3,(H,20,22,23)
InChIKeyMQPRJHZQGXOLDA-UHFFFAOYSA-N
XLogP3.91
TPSA82.05 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.42
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

N-[6-(5,6-Dimethoxypyridin-3-Yl)-1,3-Benzothiazol-2-Yl]acetamide
CID 73659200
1-[6-(5-Methoxypyridin-3-Yl)-1,3-Benzothiazol-2-Yl]-3-[2-(1-Propyl-1h-Imidazol-4-Yl)ethyl]urea
CID 73659199
[1-[3-[4-(1,3-Benzothiazol-2-ylamino)phenoxy]pyrazin-2-yl]piperidin-4-yl]methanol
CID 46209386
1-Ethyl-3-[6-(3-methoxy-4-pyridinyl)-1,3-benzothiazol-2-yl]urea
CID 71655668
3-[[6-(5-methoxy-3-pyridinyl)-1,3-benzothiazol-2-yl]carbamoylamino]-N-(2,2,2-trifluoroethyl)propanamide
CID 118721841
N-[4-(3-morpholin-4-ylpyrazin-2-yl)oxyphenyl]-1,3-benzothiazol-2-amine
CID 46209045
2-[1-[3-[4-(1,3-Benzothiazol-2-ylamino)phenoxy]pyrazin-2-yl]piperidin-4-yl]propan-2-ol
CID 46209046
6-(6-Methoxypyridin-3-yl)benzo[d]thiazol-2-amine
CID 51003592
N-[6-(6-methoxy-3-pyridinyl)-1,3-benzothiazol-2-yl]acetamide
CID 57584929
N-[6-(6-amino-5-methoxy-3-pyridinyl)-1,3-benzothiazol-2-yl]acetamide
CID 59251848
1-[1-[3-[4-(1,3-Benzothiazol-2-ylamino)phenoxy]pyrazin-2-yl]piperidin-4-yl]ethanol
CID 59351288
N-[4-[3-[4-(methoxymethyl)piperidin-1-yl]pyrazin-2-yl]oxyphenyl]-1,3-benzothiazol-2-amine
CID 59351376

Frequently Asked Questions

What is the IUPAC name of 6-(5,6-dimethoxy-3-pyridinyl)-N-pyrazin-2-yl-1,3-benzothiazol-2-amine?
The IUPAC name of 6-(5,6-dimethoxy-3-pyridinyl)-N-pyrazin-2-yl-1,3-benzothiazol-2-amine (CID 88563807) is 6-(5,6-dimethoxy-3-pyridinyl)-N-pyrazin-2-yl-1,3-benzothiazol-2-amine.
What is the SMILES notation for 6-(5,6-dimethoxy-3-pyridinyl)-N-pyrazin-2-yl-1,3-benzothiazol-2-amine?
The canonical SMILES for 6-(5,6-dimethoxy-3-pyridinyl)-N-pyrazin-2-yl-1,3-benzothiazol-2-amine is COc1cc(-c2ccc3nc(Nc4cnccn4)sc3c2)cnc1OC.
What is the InChIKey of 6-(5,6-dimethoxy-3-pyridinyl)-N-pyrazin-2-yl-1,3-benzothiazol-2-amine?
The InChIKey is MQPRJHZQGXOLDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N5O2S/c1-24-14-7-12(9-21-17(14)25-2)11-3-4-13-15(8-11)26-18(22-13)23-16-10-19-5-6-20-16/h3-10H,1-2H3,(H,20,22,23).
What are the key properties of 6-(5,6-dimethoxy-3-pyridinyl)-N-pyrazin-2-yl-1,3-benzothiazol-2-amine?
6-(5,6-dimethoxy-3-pyridinyl)-N-pyrazin-2-yl-1,3-benzothiazol-2-amine has a molecular weight of 365.42 g/mol, XLogP of 3.91, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(5,6-dimethoxy-3-pyridinyl)-N-pyrazin-2-yl-1,3-benzothiazol-2-amine is sourced from PubChem (CID 88563807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).