2-(4-tert-butylphenyl)-6-methoxy-1,3-benzothiazole

C18H19NOS — CID 101474681

IUPAC2-(4-tert-butylphenyl)-6-methoxy-1,3-benzothiazole
SMILESCOc1ccc2nc(-c3ccc(C(C)(C)C)cc3)sc2c1
InChIInChI=1S/C18H19NOS/c1-18(2,3)13-7-5-12(6-8-13)17-19-15-10-9-14(20-4)11-16(15)21-17/h5-11H,1-4H3
InChIKeyVDSWDNSKMTWMJI-UHFFFAOYSA-N
MW297.42 g/mol
LogP5.27
Rot. Bonds2

About 2-(4-tert-butylphenyl)-6-methoxy-1,3-benzothiazole

2-(4-tert-butylphenyl)-6-methoxy-1,3-benzothiazole (PubChem CID 101474681) has the molecular formula C18H19NOS and a molecular weight of 297.42 g/mol. Its IUPAC name is 2-(4-tert-butylphenyl)-6-methoxy-1,3-benzothiazole.

Molecular Properties

Compound Name2-(4-tert-butylphenyl)-6-methoxy-1,3-benzothiazole
PubChem CID101474681
Molecular FormulaC18H19NOS
Molecular Weight297.42 g/mol
Exact Mass297.12
IUPAC Name2-(4-tert-butylphenyl)-6-methoxy-1,3-benzothiazole
SMILESCOc1ccc2nc(-c3ccc(C(C)(C)C)cc3)sc2c1
InChIInChI=1S/C18H19NOS/c1-18(2,3)13-7-5-12(6-8-13)17-19-15-10-9-14(20-4)11-16(15)21-17/h5-11H,1-4H3
InChIKeyVDSWDNSKMTWMJI-UHFFFAOYSA-N
XLogP5.27
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500297.42
LogP ≤ 55.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

6-methoxy-2-[4-(trifluoromethyl)phenyl]-1,3-benzothiazole
CID 11255311
2-(4-methoxyphenyl)-6-methyl-1,3-benzothiazole
CID 12939261
2-[4-(4-ethoxyphenyl)phenyl]-6-methoxy-1,3-benzothiazole
CID 146253203
6-methoxy-2-[4-[10-[4-(6-methoxy-1,3-benzothiazol-2-yl)phenyl]anthracen-9-yl]phenyl]-1,3-benzothiazole
CID 22960185
2,6-bis(4-methoxyphenyl)-[1,3]thiazolo[4,5-f][1,3]benzothiazole
CID 58983612
2,6-dichloro-4-(6-methoxy-1,3-benzothiazol-2-yl)aniline
CID 82830716
N-[4-(6-methoxy-1,3-benzothiazol-2-yl)phenyl]acetamide
CID 46845966
N-[4-(6-methoxy-1,3-benzothiazol-2-yl)phenyl]formamide
CID 57381913
6-methoxy-2-(3-methylphenyl)-1,3-benzothiazole
CID 25232186
5-(6-methoxy-1,3-benzothiazol-2-yl)pyrimidin-2-amine
CID 24804069
2-iodo-4-(6-methoxy-1,3-benzothiazol-2-yl)aniline;4-(6-methoxy-1,3-benzothiazol-2-yl)aniline
CID 160555222
N-ethyl-5-[4-(6-methoxy-1,3-benzothiazol-2-yl)phenyl]pyridin-2-amine
CID 146253209

Frequently Asked Questions

What is the IUPAC name of 2-(4-tert-butylphenyl)-6-methoxy-1,3-benzothiazole?
The IUPAC name of 2-(4-tert-butylphenyl)-6-methoxy-1,3-benzothiazole (CID 101474681) is 2-(4-tert-butylphenyl)-6-methoxy-1,3-benzothiazole.
What is the SMILES notation for 2-(4-tert-butylphenyl)-6-methoxy-1,3-benzothiazole?
The canonical SMILES for 2-(4-tert-butylphenyl)-6-methoxy-1,3-benzothiazole is COc1ccc2nc(-c3ccc(C(C)(C)C)cc3)sc2c1.
What is the InChIKey of 2-(4-tert-butylphenyl)-6-methoxy-1,3-benzothiazole?
The InChIKey is VDSWDNSKMTWMJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NOS/c1-18(2,3)13-7-5-12(6-8-13)17-19-15-10-9-14(20-4)11-16(15)21-17/h5-11H,1-4H3.
What are the key properties of 2-(4-tert-butylphenyl)-6-methoxy-1,3-benzothiazole?
2-(4-tert-butylphenyl)-6-methoxy-1,3-benzothiazole has a molecular weight of 297.42 g/mol, XLogP of 5.27, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-tert-butylphenyl)-6-methoxy-1,3-benzothiazole is sourced from PubChem (CID 101474681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).