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

C17H15N5O2S2 — CID 135476526

IUPACmethyl N-[[4-(1,3-benzothiazol-6-yl)-5-(4-methyl-1,3-thiazol-2-yl)-1H-imidazol-2-yl]methyl]carbamate
SMILESCOC(=O)NCc1nc(-c2ccc3ncsc3c2)c(-c2nc(C)cs2)[nH]1
InChIInChI=1S/C17H15N5O2S2/c1-9-7-25-16(20-9)15-14(21-13(22-15)6-18-17(23)24-2)10-3-4-11-12(5-10)26-8-19-11/h3-5,7-8H,6H2,1-2H3,(H,18,23)(H,21,22)
InChIKeyIPKGNGWFZSLWCX-UHFFFAOYSA-N
MW385.47 g/mol
LogP3.97
Rot. Bonds4

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

methyl N-[[4-(1,3-benzothiazol-6-yl)-5-(4-methyl-1,3-thiazol-2-yl)-1H-imidazol-2-yl]methyl]carbamate (PubChem CID 135476526) has the molecular formula C17H15N5O2S2 and a molecular weight of 385.47 g/mol. Its IUPAC name is methyl N-[[4-(1,3-benzothiazol-6-yl)-5-(4-methyl-1,3-thiazol-2-yl)-1H-imidazol-2-yl]methyl]carbamate.

Molecular Properties

Compound Namemethyl N-[[4-(1,3-benzothiazol-6-yl)-5-(4-methyl-1,3-thiazol-2-yl)-1H-imidazol-2-yl]methyl]carbamate
PubChem CID135476526
Molecular FormulaC17H15N5O2S2
Molecular Weight385.47 g/mol
Exact Mass385.07
IUPAC Namemethyl N-[[4-(1,3-benzothiazol-6-yl)-5-(4-methyl-1,3-thiazol-2-yl)-1H-imidazol-2-yl]methyl]carbamate
SMILESCOC(=O)NCc1nc(-c2ccc3ncsc3c2)c(-c2nc(C)cs2)[nH]1
InChIInChI=1S/C17H15N5O2S2/c1-9-7-25-16(20-9)15-14(21-13(22-15)6-18-17(23)24-2)10-3-4-11-12(5-10)26-8-19-11/h3-5,7-8H,6H2,1-2H3,(H,18,23)(H,21,22)
InChIKeyIPKGNGWFZSLWCX-UHFFFAOYSA-N
XLogP3.97
TPSA92.79 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.47
LogP ≤ 53.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of methyl N-[[4-(1,3-benzothiazol-6-yl)-5-(4-methyl-1,3-thiazol-2-yl)-1H-imidazol-2-yl]methyl]carbamate?
The IUPAC name of methyl N-[[4-(1,3-benzothiazol-6-yl)-5-(4-methyl-1,3-thiazol-2-yl)-1H-imidazol-2-yl]methyl]carbamate (CID 135476526) is methyl N-[[4-(1,3-benzothiazol-6-yl)-5-(4-methyl-1,3-thiazol-2-yl)-1H-imidazol-2-yl]methyl]carbamate.
What is the SMILES notation for methyl N-[[4-(1,3-benzothiazol-6-yl)-5-(4-methyl-1,3-thiazol-2-yl)-1H-imidazol-2-yl]methyl]carbamate?
The canonical SMILES for methyl N-[[4-(1,3-benzothiazol-6-yl)-5-(4-methyl-1,3-thiazol-2-yl)-1H-imidazol-2-yl]methyl]carbamate is COC(=O)NCc1nc(-c2ccc3ncsc3c2)c(-c2nc(C)cs2)[nH]1.
What is the InChIKey of methyl N-[[4-(1,3-benzothiazol-6-yl)-5-(4-methyl-1,3-thiazol-2-yl)-1H-imidazol-2-yl]methyl]carbamate?
The InChIKey is IPKGNGWFZSLWCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N5O2S2/c1-9-7-25-16(20-9)15-14(21-13(22-15)6-18-17(23)24-2)10-3-4-11-12(5-10)26-8-19-11/h3-5,7-8H,6H2,1-2H3,(H,18,23)(H,21,22).
What are the key properties of methyl N-[[4-(1,3-benzothiazol-6-yl)-5-(4-methyl-1,3-thiazol-2-yl)-1H-imidazol-2-yl]methyl]carbamate?
methyl N-[[4-(1,3-benzothiazol-6-yl)-5-(4-methyl-1,3-thiazol-2-yl)-1H-imidazol-2-yl]methyl]carbamate has a molecular weight of 385.47 g/mol, XLogP of 3.97, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[[4-(1,3-benzothiazol-6-yl)-5-(4-methyl-1,3-thiazol-2-yl)-1H-imidazol-2-yl]methyl]carbamate is sourced from PubChem (CID 135476526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).