3-[[4-(1,3-benzothiazol-6-yl)-5-(4-methyl-1,3-thiazol-2-yl)-1H-imidazol-2-yl]methyl]-1,3-oxazolidin-2-one

C18H15N5O2S2 — CID 135442675

IUPAC3-[[4-(1,3-benzothiazol-6-yl)-5-(4-methyl-1,3-thiazol-2-yl)-1H-imidazol-2-yl]methyl]-1,3-oxazolidin-2-one
SMILESCc1csc(-c2[nH]c(CN3CCOC3=O)nc2-c2ccc3ncsc3c2)n1
InChIInChI=1S/C18H15N5O2S2/c1-10-8-26-17(20-10)16-15(11-2-3-12-13(6-11)27-9-19-12)21-14(22-16)7-23-4-5-25-18(23)24/h2-3,6,8-9H,4-5,7H2,1H3,(H,21,22)
InChIKeyGPJWZJBHICKXBV-UHFFFAOYSA-N
MW397.49 g/mol
LogP4.07
Rot. Bonds4

About 3-[[4-(1,3-benzothiazol-6-yl)-5-(4-methyl-1,3-thiazol-2-yl)-1H-imidazol-2-yl]methyl]-1,3-oxazolidin-2-one

3-[[4-(1,3-benzothiazol-6-yl)-5-(4-methyl-1,3-thiazol-2-yl)-1H-imidazol-2-yl]methyl]-1,3-oxazolidin-2-one (PubChem CID 135442675) has the molecular formula C18H15N5O2S2 and a molecular weight of 397.49 g/mol. Its IUPAC name is 3-[[4-(1,3-benzothiazol-6-yl)-5-(4-methyl-1,3-thiazol-2-yl)-1H-imidazol-2-yl]methyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-[[4-(1,3-benzothiazol-6-yl)-5-(4-methyl-1,3-thiazol-2-yl)-1H-imidazol-2-yl]methyl]-1,3-oxazolidin-2-one
PubChem CID135442675
Molecular FormulaC18H15N5O2S2
Molecular Weight397.49 g/mol
Exact Mass397.07
IUPAC Name3-[[4-(1,3-benzothiazol-6-yl)-5-(4-methyl-1,3-thiazol-2-yl)-1H-imidazol-2-yl]methyl]-1,3-oxazolidin-2-one
SMILESCc1csc(-c2[nH]c(CN3CCOC3=O)nc2-c2ccc3ncsc3c2)n1
InChIInChI=1S/C18H15N5O2S2/c1-10-8-26-17(20-10)16-15(11-2-3-12-13(6-11)27-9-19-12)21-14(22-16)7-23-4-5-25-18(23)24/h2-3,6,8-9H,4-5,7H2,1H3,(H,21,22)
InChIKeyGPJWZJBHICKXBV-UHFFFAOYSA-N
XLogP4.07
TPSA84.00 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.49
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-[[4-(1,3-benzothiazol-6-yl)-5-(4-methyl-1,3-thiazol-2-yl)-1H-imidazol-2-yl]methyl]-1,3-oxazolidin-2-one?
The IUPAC name of 3-[[4-(1,3-benzothiazol-6-yl)-5-(4-methyl-1,3-thiazol-2-yl)-1H-imidazol-2-yl]methyl]-1,3-oxazolidin-2-one (CID 135442675) is 3-[[4-(1,3-benzothiazol-6-yl)-5-(4-methyl-1,3-thiazol-2-yl)-1H-imidazol-2-yl]methyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-[[4-(1,3-benzothiazol-6-yl)-5-(4-methyl-1,3-thiazol-2-yl)-1H-imidazol-2-yl]methyl]-1,3-oxazolidin-2-one?
The canonical SMILES for 3-[[4-(1,3-benzothiazol-6-yl)-5-(4-methyl-1,3-thiazol-2-yl)-1H-imidazol-2-yl]methyl]-1,3-oxazolidin-2-one is Cc1csc(-c2[nH]c(CN3CCOC3=O)nc2-c2ccc3ncsc3c2)n1.
What is the InChIKey of 3-[[4-(1,3-benzothiazol-6-yl)-5-(4-methyl-1,3-thiazol-2-yl)-1H-imidazol-2-yl]methyl]-1,3-oxazolidin-2-one?
The InChIKey is GPJWZJBHICKXBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N5O2S2/c1-10-8-26-17(20-10)16-15(11-2-3-12-13(6-11)27-9-19-12)21-14(22-16)7-23-4-5-25-18(23)24/h2-3,6,8-9H,4-5,7H2,1H3,(H,21,22).
What are the key properties of 3-[[4-(1,3-benzothiazol-6-yl)-5-(4-methyl-1,3-thiazol-2-yl)-1H-imidazol-2-yl]methyl]-1,3-oxazolidin-2-one?
3-[[4-(1,3-benzothiazol-6-yl)-5-(4-methyl-1,3-thiazol-2-yl)-1H-imidazol-2-yl]methyl]-1,3-oxazolidin-2-one has a molecular weight of 397.49 g/mol, XLogP of 4.07, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-(1,3-benzothiazol-6-yl)-5-(4-methyl-1,3-thiazol-2-yl)-1H-imidazol-2-yl]methyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 135442675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).