6-(4-tert-butyl-3-pyridinyl)-1,3-benzothiazole

C16H16N2S — CID 165372322

IUPAC6-(4-tert-butyl-3-pyridinyl)-1,3-benzothiazole
SMILESCC(C)(C)c1ccncc1-c1ccc2ncsc2c1
InChIInChI=1S/C16H16N2S/c1-16(2,3)13-6-7-17-9-12(13)11-4-5-14-15(8-11)19-10-18-14/h4-10H,1-3H3
InChIKeyBDCPDBUHQGZWSM-UHFFFAOYSA-N
MW268.38 g/mol
LogP4.66
Rot. Bonds1

About 6-(4-tert-butyl-3-pyridinyl)-1,3-benzothiazole

6-(4-tert-butyl-3-pyridinyl)-1,3-benzothiazole (PubChem CID 165372322) has the molecular formula C16H16N2S and a molecular weight of 268.38 g/mol. Its IUPAC name is 6-(4-tert-butyl-3-pyridinyl)-1,3-benzothiazole.

Molecular Properties

Compound Name6-(4-tert-butyl-3-pyridinyl)-1,3-benzothiazole
PubChem CID165372322
Molecular FormulaC16H16N2S
Molecular Weight268.38 g/mol
Exact Mass268.10
IUPAC Name6-(4-tert-butyl-3-pyridinyl)-1,3-benzothiazole
SMILESCC(C)(C)c1ccncc1-c1ccc2ncsc2c1
InChIInChI=1S/C16H16N2S/c1-16(2,3)13-6-7-17-9-12(13)11-4-5-14-15(8-11)19-10-18-14/h4-10H,1-3H3
InChIKeyBDCPDBUHQGZWSM-UHFFFAOYSA-N
XLogP4.66
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.38
LogP ≤ 54.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-tert-butyl-3-pyridinyl)-1,3,4-thiadiazole
CID 165372247
6-(3-chlorophenyl)-1,3-benzothiazole
CID 166918051
6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-1,3-benzothiazole
CID 90094679
6-fluoranthen-3-yl-1,3-benzothiazole
CID 121287541
2-amino-N-(1,3-benzothiazol-6-yl)-2-methylpropanamide
CID 83634070
4-(1,3-benzothiazol-6-yl)-5-methyl-N-pyridin-2-ylpyrimidin-2-amine
CID 175570054
3,4-ditert-butylpyridine
CID 13244751
6-(2-chloropyrimidin-4-yl)-1,3-benzothiazole
CID 134228541
6-[2-[(E)-2-phenylethenyl]-3-pyridinyl]-1,3-benzothiazole
CID 118437898
4-N-(1,3-benzothiazol-6-yl)pyridine-3,4-diamine
CID 107802796
4-(1,3-benzothiazol-6-yl)-5-methoxy-N-pyridin-2-ylpyrimidin-2-amine
CID 175570155
3,7-bis(1,3-benzothiazol-6-yl)-10-methylphenothiazine
CID 171073738

Frequently Asked Questions

What is the IUPAC name of 6-(4-tert-butyl-3-pyridinyl)-1,3-benzothiazole?
The IUPAC name of 6-(4-tert-butyl-3-pyridinyl)-1,3-benzothiazole (CID 165372322) is 6-(4-tert-butyl-3-pyridinyl)-1,3-benzothiazole.
What is the SMILES notation for 6-(4-tert-butyl-3-pyridinyl)-1,3-benzothiazole?
The canonical SMILES for 6-(4-tert-butyl-3-pyridinyl)-1,3-benzothiazole is CC(C)(C)c1ccncc1-c1ccc2ncsc2c1.
What is the InChIKey of 6-(4-tert-butyl-3-pyridinyl)-1,3-benzothiazole?
The InChIKey is BDCPDBUHQGZWSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2S/c1-16(2,3)13-6-7-17-9-12(13)11-4-5-14-15(8-11)19-10-18-14/h4-10H,1-3H3.
What are the key properties of 6-(4-tert-butyl-3-pyridinyl)-1,3-benzothiazole?
6-(4-tert-butyl-3-pyridinyl)-1,3-benzothiazole has a molecular weight of 268.38 g/mol, XLogP of 4.66, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-tert-butyl-3-pyridinyl)-1,3-benzothiazole is sourced from PubChem (CID 165372322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).