N-(1,3-benzothiazol-2-ylmethyl)-1-(4,5-dimethylthiophen-2-yl)methanamine

C15H16N2S2 — CID 65243812

IUPACN-(1,3-benzothiazol-2-ylmethyl)-1-(4,5-dimethylthiophen-2-yl)methanamine
SMILESCc1cc(CNCc2nc3ccccc3s2)sc1C
InChIInChI=1S/C15H16N2S2/c1-10-7-12(18-11(10)2)8-16-9-15-17-13-5-3-4-6-14(13)19-15/h3-7,16H,8-9H2,1-2H3
InChIKeyVTGWSMOMGMXZMG-UHFFFAOYSA-N
MW288.44 g/mol
LogP4.26
Rot. Bonds4

About N-(1,3-benzothiazol-2-ylmethyl)-1-(4,5-dimethylthiophen-2-yl)methanamine

N-(1,3-benzothiazol-2-ylmethyl)-1-(4,5-dimethylthiophen-2-yl)methanamine (PubChem CID 65243812) has the molecular formula C15H16N2S2 and a molecular weight of 288.44 g/mol. Its IUPAC name is N-(1,3-benzothiazol-2-ylmethyl)-1-(4,5-dimethylthiophen-2-yl)methanamine.

Molecular Properties

Compound NameN-(1,3-benzothiazol-2-ylmethyl)-1-(4,5-dimethylthiophen-2-yl)methanamine
PubChem CID65243812
Molecular FormulaC15H16N2S2
Molecular Weight288.44 g/mol
Exact Mass288.08
IUPAC NameN-(1,3-benzothiazol-2-ylmethyl)-1-(4,5-dimethylthiophen-2-yl)methanamine
SMILESCc1cc(CNCc2nc3ccccc3s2)sc1C
InChIInChI=1S/C15H16N2S2/c1-10-7-12(18-11(10)2)8-16-9-15-17-13-5-3-4-6-14(13)19-15/h3-7,16H,8-9H2,1-2H3
InChIKeyVTGWSMOMGMXZMG-UHFFFAOYSA-N
XLogP4.26
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.44
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1,3-benzothiazol-2-ylmethyl)-1-(2,5-dimethylphenyl)methanamine
CID 60669491
N-(1,3-benzothiazol-2-ylmethyl)-1-(5-methylfuran-2-yl)methanamine
CID 28665172
N-(1,3-benzothiazol-2-ylmethyl)-1-(5-methyl-1,2,4-oxadiazol-3-yl)methanamine
CID 106398409
N-(1,3-benzothiazol-2-ylmethyl)-1-(2-methyl-1,3-thiazol-4-yl)methanamine
CID 28781462
N-(1,3-benzothiazol-2-ylmethyl)-1-(furan-2-yl)methanamine
CID 28665164
1-(1-benzofuran-2-yl)-N-(1,3-benzothiazol-2-ylmethyl)methanamine
CID 28665559
N-(1,3-benzothiazol-2-ylmethyl)-1-(5-methyloxolan-2-yl)methanamine
CID 82834430
N-(1,3-benzothiazol-2-ylmethyl)-1-(1,3-thiazol-2-yl)methanamine
CID 61283669
4-[(1,3-benzothiazol-2-ylmethylamino)methyl]benzene-1,3-diol
CID 28665229
3-[(1,3-benzothiazol-2-ylmethylamino)methyl]phenol
CID 28665440
4-(1,3-benzothiazol-2-ylmethylamino)butan-2-ol
CID 64912246
3-(1,3-benzothiazol-2-ylmethylamino)-2,2-dimethylpropan-1-ol
CID 81413619

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzothiazol-2-ylmethyl)-1-(4,5-dimethylthiophen-2-yl)methanamine?
The IUPAC name of N-(1,3-benzothiazol-2-ylmethyl)-1-(4,5-dimethylthiophen-2-yl)methanamine (CID 65243812) is N-(1,3-benzothiazol-2-ylmethyl)-1-(4,5-dimethylthiophen-2-yl)methanamine.
What is the SMILES notation for N-(1,3-benzothiazol-2-ylmethyl)-1-(4,5-dimethylthiophen-2-yl)methanamine?
The canonical SMILES for N-(1,3-benzothiazol-2-ylmethyl)-1-(4,5-dimethylthiophen-2-yl)methanamine is Cc1cc(CNCc2nc3ccccc3s2)sc1C.
What is the InChIKey of N-(1,3-benzothiazol-2-ylmethyl)-1-(4,5-dimethylthiophen-2-yl)methanamine?
The InChIKey is VTGWSMOMGMXZMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2S2/c1-10-7-12(18-11(10)2)8-16-9-15-17-13-5-3-4-6-14(13)19-15/h3-7,16H,8-9H2,1-2H3.
What are the key properties of N-(1,3-benzothiazol-2-ylmethyl)-1-(4,5-dimethylthiophen-2-yl)methanamine?
N-(1,3-benzothiazol-2-ylmethyl)-1-(4,5-dimethylthiophen-2-yl)methanamine has a molecular weight of 288.44 g/mol, XLogP of 4.26, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzothiazol-2-ylmethyl)-1-(4,5-dimethylthiophen-2-yl)methanamine is sourced from PubChem (CID 65243812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).