N-(1,3-benzothiazol-2-ylmethyl)-N-methyl-1-(2-thiophen-2-yl-1,3-oxazol-4-yl)methanamine

C17H15N3OS2 — CID 8803017

IUPACN-(1,3-benzothiazol-2-ylmethyl)-N-methyl-1-(2-thiophen-2-yl-1,3-oxazol-4-yl)methanamine
SMILESCN(Cc1coc(-c2cccs2)n1)Cc1nc2ccccc2s1
InChIInChI=1S/C17H15N3OS2/c1-20(10-16-19-13-5-2-3-6-14(13)23-16)9-12-11-21-17(18-12)15-7-4-8-22-15/h2-8,11H,9-10H2,1H3
InChIKeyDOLTZQNRXLCVAE-UHFFFAOYSA-N
MW341.46 g/mol
LogP4.64
Rot. Bonds5

About N-(1,3-benzothiazol-2-ylmethyl)-N-methyl-1-(2-thiophen-2-yl-1,3-oxazol-4-yl)methanamine

N-(1,3-benzothiazol-2-ylmethyl)-N-methyl-1-(2-thiophen-2-yl-1,3-oxazol-4-yl)methanamine (PubChem CID 8803017) has the molecular formula C17H15N3OS2 and a molecular weight of 341.46 g/mol. Its IUPAC name is N-(1,3-benzothiazol-2-ylmethyl)-N-methyl-1-(2-thiophen-2-yl-1,3-oxazol-4-yl)methanamine.

Molecular Properties

Compound NameN-(1,3-benzothiazol-2-ylmethyl)-N-methyl-1-(2-thiophen-2-yl-1,3-oxazol-4-yl)methanamine
PubChem CID8803017
Molecular FormulaC17H15N3OS2
Molecular Weight341.46 g/mol
Exact Mass341.07
IUPAC NameN-(1,3-benzothiazol-2-ylmethyl)-N-methyl-1-(2-thiophen-2-yl-1,3-oxazol-4-yl)methanamine
SMILESCN(Cc1coc(-c2cccs2)n1)Cc1nc2ccccc2s1
InChIInChI=1S/C17H15N3OS2/c1-20(10-16-19-13-5-2-3-6-14(13)23-16)9-12-11-21-17(18-12)15-7-4-8-22-15/h2-8,11H,9-10H2,1H3
InChIKeyDOLTZQNRXLCVAE-UHFFFAOYSA-N
XLogP4.64
TPSA42.16 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.46
LogP ≤ 54.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze N-(1,3-benzothiazol-2-ylmethyl)-N-methyl-1-(2-thiophen-2-yl-1,3-oxazol-4-yl)methanamine with MolForge

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Related Compounds

N'-methyl-N'-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]ethane-1,2-diamine
CID 62686633
1-(2,4-difluorophenyl)-N-methyl-N-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]methanamine
CID 134001654
4-[methyl-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]amino]butanoic acid
CID 55006274
(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl 4-(1,3-benzothiazol-2-yl)butanoate
CID 7895886
2-(2-thiophen-2-yl-1,3-oxazol-4-yl)acetonitrile
CID 26695420
N-(1,3-benzothiazol-2-ylmethyl)-N-methyl-1-(5-phenyl-1,3,4-oxadiazol-2-yl)methanamine
CID 8802346
N-(1,3-benzothiazol-2-ylmethyl)-N-methyl-1-(2-propyl-1,3-thiazol-4-yl)methanamine
CID 134052869
N-(1,3-benzothiazol-2-ylmethyl)-N-methyl-1-(2-thiophen-3-yl-1,3-thiazol-4-yl)methanamine
CID 8803958
4-[[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]methyl]-2-thiophen-2-yl-1,3-oxazole
CID 9116647
4-(chloromethyl)-2-thiophen-2-yl-1,3-oxazole
CID 2529531
N'-(1,3-benzothiazol-2-ylmethyl)-N'-methylethane-1,2-diamine
CID 62687569
4-(benzimidazol-1-ylmethyl)-2-thiophen-2-yl-1,3-oxazole
CID 17404827

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzothiazol-2-ylmethyl)-N-methyl-1-(2-thiophen-2-yl-1,3-oxazol-4-yl)methanamine?
The IUPAC name of N-(1,3-benzothiazol-2-ylmethyl)-N-methyl-1-(2-thiophen-2-yl-1,3-oxazol-4-yl)methanamine (CID 8803017) is N-(1,3-benzothiazol-2-ylmethyl)-N-methyl-1-(2-thiophen-2-yl-1,3-oxazol-4-yl)methanamine.
What is the SMILES notation for N-(1,3-benzothiazol-2-ylmethyl)-N-methyl-1-(2-thiophen-2-yl-1,3-oxazol-4-yl)methanamine?
The canonical SMILES for N-(1,3-benzothiazol-2-ylmethyl)-N-methyl-1-(2-thiophen-2-yl-1,3-oxazol-4-yl)methanamine is CN(Cc1coc(-c2cccs2)n1)Cc1nc2ccccc2s1.
What is the InChIKey of N-(1,3-benzothiazol-2-ylmethyl)-N-methyl-1-(2-thiophen-2-yl-1,3-oxazol-4-yl)methanamine?
The InChIKey is DOLTZQNRXLCVAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3OS2/c1-20(10-16-19-13-5-2-3-6-14(13)23-16)9-12-11-21-17(18-12)15-7-4-8-22-15/h2-8,11H,9-10H2,1H3.
What are the key properties of N-(1,3-benzothiazol-2-ylmethyl)-N-methyl-1-(2-thiophen-2-yl-1,3-oxazol-4-yl)methanamine?
N-(1,3-benzothiazol-2-ylmethyl)-N-methyl-1-(2-thiophen-2-yl-1,3-oxazol-4-yl)methanamine has a molecular weight of 341.46 g/mol, XLogP of 4.64, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzothiazol-2-ylmethyl)-N-methyl-1-(2-thiophen-2-yl-1,3-oxazol-4-yl)methanamine is sourced from PubChem (CID 8803017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).