2-methyl-N-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-1,3-benzothiazol-6-amine

C15H14N4S2 — CID 43780738

IUPAC2-methyl-N-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-1,3-benzothiazol-6-amine
SMILESCc1nc2ccc(NCc3c(C)nc4sccn34)cc2s1
InChIInChI=1S/C15H14N4S2/c1-9-13(19-5-6-20-15(19)17-9)8-16-11-3-4-12-14(7-11)21-10(2)18-12/h3-7,16H,8H2,1-2H3
InChIKeyLKRCWJVXGSHBKZ-UHFFFAOYSA-N
MW314.44 g/mol
LogP4.23
Rot. Bonds3

About 2-methyl-N-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-1,3-benzothiazol-6-amine

2-methyl-N-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-1,3-benzothiazol-6-amine (PubChem CID 43780738) has the molecular formula C15H14N4S2 and a molecular weight of 314.44 g/mol. Its IUPAC name is 2-methyl-N-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-1,3-benzothiazol-6-amine.

Molecular Properties

Compound Name2-methyl-N-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-1,3-benzothiazol-6-amine
PubChem CID43780738
Molecular FormulaC15H14N4S2
Molecular Weight314.44 g/mol
Exact Mass314.07
IUPAC Name2-methyl-N-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-1,3-benzothiazol-6-amine
SMILESCc1nc2ccc(NCc3c(C)nc4sccn34)cc2s1
InChIInChI=1S/C15H14N4S2/c1-9-13(19-5-6-20-15(19)17-9)8-16-11-3-4-12-14(7-11)21-10(2)18-12/h3-7,16H,8H2,1-2H3
InChIKeyLKRCWJVXGSHBKZ-UHFFFAOYSA-N
XLogP4.23
TPSA42.22 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.44
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]naphthalen-2-amine
CID 43780278
3-iodo-N-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]aniline
CID 43773324
3-chloro-4-ethoxy-N-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]aniline
CID 60942648
3-fluoro-4-methoxy-N-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]aniline
CID 43775875
4-bromo-3,5-dimethyl-N-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]aniline
CID 107572015
4-butyl-N-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]aniline
CID 43769718
3-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methylamino]benzonitrile
CID 43762471
4-ethoxy-3-fluoro-N-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]aniline
CID 115743258
N-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-4-nitroaniline
CID 43785802
N-[(3-aminothiophen-2-yl)methyl]-2-methyl-1,3-benzothiazol-6-amine
CID 66387136
2-methoxy-4-methyl-N-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]aniline
CID 60931230
2-methyl-N-[(2-methylpyrazol-3-yl)methyl]-1,3-benzothiazol-6-amine
CID 43682709

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-1,3-benzothiazol-6-amine?
The IUPAC name of 2-methyl-N-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-1,3-benzothiazol-6-amine (CID 43780738) is 2-methyl-N-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-1,3-benzothiazol-6-amine.
What is the SMILES notation for 2-methyl-N-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-1,3-benzothiazol-6-amine?
The canonical SMILES for 2-methyl-N-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-1,3-benzothiazol-6-amine is Cc1nc2ccc(NCc3c(C)nc4sccn34)cc2s1.
What is the InChIKey of 2-methyl-N-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-1,3-benzothiazol-6-amine?
The InChIKey is LKRCWJVXGSHBKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4S2/c1-9-13(19-5-6-20-15(19)17-9)8-16-11-3-4-12-14(7-11)21-10(2)18-12/h3-7,16H,8H2,1-2H3.
What are the key properties of 2-methyl-N-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-1,3-benzothiazol-6-amine?
2-methyl-N-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-1,3-benzothiazol-6-amine has a molecular weight of 314.44 g/mol, XLogP of 4.23, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-1,3-benzothiazol-6-amine is sourced from PubChem (CID 43780738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).