N-[(3-aminothiophen-2-yl)methyl]-2-methyl-1,3-benzothiazol-6-amine

C13H13N3S2 — CID 66387136

IUPACN-[(3-aminothiophen-2-yl)methyl]-2-methyl-1,3-benzothiazol-6-amine
SMILESCc1nc2ccc(NCc3sccc3N)cc2s1
InChIInChI=1S/C13H13N3S2/c1-8-16-11-3-2-9(6-12(11)18-8)15-7-13-10(14)4-5-17-13/h2-6,15H,7,14H2,1H3
InChIKeyAWEAPFLQKOHEKZ-UHFFFAOYSA-N
MW275.40 g/mol
LogP3.86
Rot. Bonds3

About N-[(3-aminothiophen-2-yl)methyl]-2-methyl-1,3-benzothiazol-6-amine

N-[(3-aminothiophen-2-yl)methyl]-2-methyl-1,3-benzothiazol-6-amine (PubChem CID 66387136) has the molecular formula C13H13N3S2 and a molecular weight of 275.40 g/mol. Its IUPAC name is N-[(3-aminothiophen-2-yl)methyl]-2-methyl-1,3-benzothiazol-6-amine.

Molecular Properties

Compound NameN-[(3-aminothiophen-2-yl)methyl]-2-methyl-1,3-benzothiazol-6-amine
PubChem CID66387136
Molecular FormulaC13H13N3S2
Molecular Weight275.40 g/mol
Exact Mass275.06
IUPAC NameN-[(3-aminothiophen-2-yl)methyl]-2-methyl-1,3-benzothiazol-6-amine
SMILESCc1nc2ccc(NCc3sccc3N)cc2s1
InChIInChI=1S/C13H13N3S2/c1-8-16-11-3-2-9(6-12(11)18-8)15-7-13-10(14)4-5-17-13/h2-6,15H,7,14H2,1H3
InChIKeyAWEAPFLQKOHEKZ-UHFFFAOYSA-N
XLogP3.86
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.40
LogP ≤ 53.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(3,4-difluorophenyl)methyl]-2-methyl-1,3-benzothiazol-6-amine
CID 43231098
2-methyl-N-(pyridin-2-ylmethyl)-1,3-benzothiazol-6-amine
CID 43682641
2-methyl-N-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-1,3-benzothiazol-6-amine
CID 43780738
2-[(3-chloro-4-fluoroanilino)methyl]thiophen-3-amine
CID 66387522
2-[[4-methyl-3-(trifluoromethyl)anilino]methyl]thiophen-3-amine
CID 66387792
N-[(2,4-difluorophenyl)methyl]-2-methyl-1,3-benzothiazol-6-amine
CID 43682594
3-[[(2-methyl-1,3-benzothiazol-6-yl)amino]methyl]phenol
CID 43682648
N-[(5-chloro-2-fluorophenyl)methyl]-2-methyl-1,3-benzothiazol-6-amine
CID 114841659
2-methyl-N-[(2-methylpyrazol-3-yl)methyl]-1,3-benzothiazol-6-amine
CID 43682709
N-[(3-ethylimidazol-4-yl)methyl]-2-methyl-1,3-benzothiazol-6-amine
CID 66135636
2-[(3-propan-2-ylanilino)methyl]thiophen-3-amine
CID 66386115
N-(ethyldiazenyl)-2-methyl-1,3-benzothiazol-6-amine
CID 19154623

Frequently Asked Questions

What is the IUPAC name of N-[(3-aminothiophen-2-yl)methyl]-2-methyl-1,3-benzothiazol-6-amine?
The IUPAC name of N-[(3-aminothiophen-2-yl)methyl]-2-methyl-1,3-benzothiazol-6-amine (CID 66387136) is N-[(3-aminothiophen-2-yl)methyl]-2-methyl-1,3-benzothiazol-6-amine.
What is the SMILES notation for N-[(3-aminothiophen-2-yl)methyl]-2-methyl-1,3-benzothiazol-6-amine?
The canonical SMILES for N-[(3-aminothiophen-2-yl)methyl]-2-methyl-1,3-benzothiazol-6-amine is Cc1nc2ccc(NCc3sccc3N)cc2s1.
What is the InChIKey of N-[(3-aminothiophen-2-yl)methyl]-2-methyl-1,3-benzothiazol-6-amine?
The InChIKey is AWEAPFLQKOHEKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3S2/c1-8-16-11-3-2-9(6-12(11)18-8)15-7-13-10(14)4-5-17-13/h2-6,15H,7,14H2,1H3.
What are the key properties of N-[(3-aminothiophen-2-yl)methyl]-2-methyl-1,3-benzothiazol-6-amine?
N-[(3-aminothiophen-2-yl)methyl]-2-methyl-1,3-benzothiazol-6-amine has a molecular weight of 275.40 g/mol, XLogP of 3.86, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-aminothiophen-2-yl)methyl]-2-methyl-1,3-benzothiazol-6-amine is sourced from PubChem (CID 66387136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).