6-[5-(4-methyl-1,3-thiazol-2-yl)-2-(oxan-4-yl)-1H-imidazol-4-yl]-1,3-benzothiazole

C19H18N4OS2 — CID 135489172

IUPAC6-[5-(4-methyl-1,3-thiazol-2-yl)-2-(oxan-4-yl)-1H-imidazol-4-yl]-1,3-benzothiazole
SMILESCc1csc(-c2[nH]c(C3CCOCC3)nc2-c2ccc3ncsc3c2)n1
InChIInChI=1S/C19H18N4OS2/c1-11-9-25-19(21-11)17-16(13-2-3-14-15(8-13)26-10-20-14)22-18(23-17)12-4-6-24-7-5-12/h2-3,8-10,12H,4-7H2,1H3,(H,22,23)
InChIKeyDLQZDLJWNOCYMU-UHFFFAOYSA-N
MW382.51 g/mol
LogP5.01
Rot. Bonds3

About 6-[5-(4-methyl-1,3-thiazol-2-yl)-2-(oxan-4-yl)-1H-imidazol-4-yl]-1,3-benzothiazole

6-[5-(4-methyl-1,3-thiazol-2-yl)-2-(oxan-4-yl)-1H-imidazol-4-yl]-1,3-benzothiazole (PubChem CID 135489172) has the molecular formula C19H18N4OS2 and a molecular weight of 382.51 g/mol. Its IUPAC name is 6-[5-(4-methyl-1,3-thiazol-2-yl)-2-(oxan-4-yl)-1H-imidazol-4-yl]-1,3-benzothiazole.

Molecular Properties

Compound Name6-[5-(4-methyl-1,3-thiazol-2-yl)-2-(oxan-4-yl)-1H-imidazol-4-yl]-1,3-benzothiazole
PubChem CID135489172
Molecular FormulaC19H18N4OS2
Molecular Weight382.51 g/mol
Exact Mass382.09
IUPAC Name6-[5-(4-methyl-1,3-thiazol-2-yl)-2-(oxan-4-yl)-1H-imidazol-4-yl]-1,3-benzothiazole
SMILESCc1csc(-c2[nH]c(C3CCOCC3)nc2-c2ccc3ncsc3c2)n1
InChIInChI=1S/C19H18N4OS2/c1-11-9-25-19(21-11)17-16(13-2-3-14-15(8-13)26-10-20-14)22-18(23-17)12-4-6-24-7-5-12/h2-3,8-10,12H,4-7H2,1H3,(H,22,23)
InChIKeyDLQZDLJWNOCYMU-UHFFFAOYSA-N
XLogP5.01
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.51
LogP ≤ 55.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-[5-(4-methyl-1,3-thiazol-2-yl)-2-(oxan-4-yl)-1H-imidazol-4-yl]-1,3-benzothiazole?
The IUPAC name of 6-[5-(4-methyl-1,3-thiazol-2-yl)-2-(oxan-4-yl)-1H-imidazol-4-yl]-1,3-benzothiazole (CID 135489172) is 6-[5-(4-methyl-1,3-thiazol-2-yl)-2-(oxan-4-yl)-1H-imidazol-4-yl]-1,3-benzothiazole.
What is the SMILES notation for 6-[5-(4-methyl-1,3-thiazol-2-yl)-2-(oxan-4-yl)-1H-imidazol-4-yl]-1,3-benzothiazole?
The canonical SMILES for 6-[5-(4-methyl-1,3-thiazol-2-yl)-2-(oxan-4-yl)-1H-imidazol-4-yl]-1,3-benzothiazole is Cc1csc(-c2[nH]c(C3CCOCC3)nc2-c2ccc3ncsc3c2)n1.
What is the InChIKey of 6-[5-(4-methyl-1,3-thiazol-2-yl)-2-(oxan-4-yl)-1H-imidazol-4-yl]-1,3-benzothiazole?
The InChIKey is DLQZDLJWNOCYMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4OS2/c1-11-9-25-19(21-11)17-16(13-2-3-14-15(8-13)26-10-20-14)22-18(23-17)12-4-6-24-7-5-12/h2-3,8-10,12H,4-7H2,1H3,(H,22,23).
What are the key properties of 6-[5-(4-methyl-1,3-thiazol-2-yl)-2-(oxan-4-yl)-1H-imidazol-4-yl]-1,3-benzothiazole?
6-[5-(4-methyl-1,3-thiazol-2-yl)-2-(oxan-4-yl)-1H-imidazol-4-yl]-1,3-benzothiazole has a molecular weight of 382.51 g/mol, XLogP of 5.01, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[5-(4-methyl-1,3-thiazol-2-yl)-2-(oxan-4-yl)-1H-imidazol-4-yl]-1,3-benzothiazole is sourced from PubChem (CID 135489172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).