6-(5-propan-2-yloxy-3-pyridinyl)-1,3-benzothiazol-2-amine

C15H15N3OS — CID 122184480

IUPAC6-(5-propan-2-yloxy-3-pyridinyl)-1,3-benzothiazol-2-amine
SMILESCC(C)Oc1cncc(-c2ccc3nc(N)sc3c2)c1
InChIInChI=1S/C15H15N3OS/c1-9(2)19-12-5-11(7-17-8-12)10-3-4-13-14(6-10)20-15(16)18-13/h3-9H,1-2H3,(H2,16,18)
InChIKeyZYCQTLJPCIVXNL-UHFFFAOYSA-N
MW285.37 g/mol
LogP3.73
Rot. Bonds3

About 6-(5-propan-2-yloxy-3-pyridinyl)-1,3-benzothiazol-2-amine

6-(5-propan-2-yloxy-3-pyridinyl)-1,3-benzothiazol-2-amine (PubChem CID 122184480) has the molecular formula C15H15N3OS and a molecular weight of 285.37 g/mol. Its IUPAC name is 6-(5-propan-2-yloxy-3-pyridinyl)-1,3-benzothiazol-2-amine.

Molecular Properties

Compound Name6-(5-propan-2-yloxy-3-pyridinyl)-1,3-benzothiazol-2-amine
PubChem CID122184480
Molecular FormulaC15H15N3OS
Molecular Weight285.37 g/mol
Exact Mass285.09
IUPAC Name6-(5-propan-2-yloxy-3-pyridinyl)-1,3-benzothiazol-2-amine
SMILESCC(C)Oc1cncc(-c2ccc3nc(N)sc3c2)c1
InChIInChI=1S/C15H15N3OS/c1-9(2)19-12-5-11(7-17-8-12)10-3-4-13-14(6-10)20-15(16)18-13/h3-9H,1-2H3,(H2,16,18)
InChIKeyZYCQTLJPCIVXNL-UHFFFAOYSA-N
XLogP3.73
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.37
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[6-(5,6-Dimethoxypyridin-3-Yl)-1,3-Benzothiazol-2-Yl]acetamide
CID 73659200
4-methoxy-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)-1,3-benzothiazol-2-amine
CID 7086337
1-[6-(5-Methoxypyridin-3-Yl)-1,3-Benzothiazol-2-Yl]-3-[2-(1-Propyl-1h-Imidazol-4-Yl)ethyl]urea
CID 73659199
6-Methoxy-N-(3-pyridinylmethyl)-2-benzothiazolamine
CID 834526
3-(Benzyloxy)-N-(4-Methyl-1,3-Thiazol-2-Yl)pyridin-2-Amine
CID 16660015
3-(Benzyloxy)-5-Methyl-N-(4-Methyl-1,3-Thiazol-2-Yl)pyridin-2-Amine
CID 59225669
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
3-(benzyloxy)-5-(benzylthio)-N-(4-methylthiazol-2-yl)pyridin-2-amine
CID 16660174
3-(benzyloxy)-N-(4-methylthiazol-2-yl)-5-(pyridin-2-ylmethylthio)pyridin-2-amine
CID 16660507
4-methyl-N-(3-phenylmethoxy-5-pyridin-2-ylsulfanyl-2-pyridinyl)-1,3-thiazol-2-amine
CID 16660671
6-(6-Methoxypyridin-3-yl)benzo[d]thiazol-2-amine
CID 51003592

Frequently Asked Questions

What is the IUPAC name of 6-(5-propan-2-yloxy-3-pyridinyl)-1,3-benzothiazol-2-amine?
The IUPAC name of 6-(5-propan-2-yloxy-3-pyridinyl)-1,3-benzothiazol-2-amine (CID 122184480) is 6-(5-propan-2-yloxy-3-pyridinyl)-1,3-benzothiazol-2-amine.
What is the SMILES notation for 6-(5-propan-2-yloxy-3-pyridinyl)-1,3-benzothiazol-2-amine?
The canonical SMILES for 6-(5-propan-2-yloxy-3-pyridinyl)-1,3-benzothiazol-2-amine is CC(C)Oc1cncc(-c2ccc3nc(N)sc3c2)c1.
What is the InChIKey of 6-(5-propan-2-yloxy-3-pyridinyl)-1,3-benzothiazol-2-amine?
The InChIKey is ZYCQTLJPCIVXNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3OS/c1-9(2)19-12-5-11(7-17-8-12)10-3-4-13-14(6-10)20-15(16)18-13/h3-9H,1-2H3,(H2,16,18).
What are the key properties of 6-(5-propan-2-yloxy-3-pyridinyl)-1,3-benzothiazol-2-amine?
6-(5-propan-2-yloxy-3-pyridinyl)-1,3-benzothiazol-2-amine has a molecular weight of 285.37 g/mol, XLogP of 3.73, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(5-propan-2-yloxy-3-pyridinyl)-1,3-benzothiazol-2-amine is sourced from PubChem (CID 122184480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).