4-methyl-5-(5-methyl-1,3-benzothiazol-2-yl)thiophen-2-amine

C13H12N2S2 — CID 43305023

IUPAC4-methyl-5-(5-methyl-1,3-benzothiazol-2-yl)thiophen-2-amine
SMILESCc1ccc2sc(-c3sc(N)cc3C)nc2c1
InChIInChI=1S/C13H12N2S2/c1-7-3-4-10-9(5-7)15-13(16-10)12-8(2)6-11(14)17-12/h3-6H,14H2,1-2H3
InChIKeyPQSUYEHUQOQFLG-UHFFFAOYSA-N
MW260.39 g/mol
LogP4.22
Rot. Bonds1

About 4-methyl-5-(5-methyl-1,3-benzothiazol-2-yl)thiophen-2-amine

4-methyl-5-(5-methyl-1,3-benzothiazol-2-yl)thiophen-2-amine (PubChem CID 43305023) has the molecular formula C13H12N2S2 and a molecular weight of 260.39 g/mol. Its IUPAC name is 4-methyl-5-(5-methyl-1,3-benzothiazol-2-yl)thiophen-2-amine.

Molecular Properties

Compound Name4-methyl-5-(5-methyl-1,3-benzothiazol-2-yl)thiophen-2-amine
PubChem CID43305023
Molecular FormulaC13H12N2S2
Molecular Weight260.39 g/mol
Exact Mass260.04
IUPAC Name4-methyl-5-(5-methyl-1,3-benzothiazol-2-yl)thiophen-2-amine
SMILESCc1ccc2sc(-c3sc(N)cc3C)nc2c1
InChIInChI=1S/C13H12N2S2/c1-7-3-4-10-9(5-7)15-13(16-10)12-8(2)6-11(14)17-12/h3-6H,14H2,1-2H3
InChIKeyPQSUYEHUQOQFLG-UHFFFAOYSA-N
XLogP4.22
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.39
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-(1,3-benzothiazol-2-yl)-4-methylthiophen-2-amine
CID 24711318
3,4-dimethyl-5-(5-methyl-1,3-benzothiazol-2-yl)aniline
CID 63021388
5-(5-methyl-1,3-benzothiazol-2-yl)-1H-pyrazol-3-amine
CID 64526919
4,5-dimethyl-3-(5-methyl-1,3-benzothiazol-2-yl)thiophen-2-amine
CID 43305024
3-(5-methyl-1,3-benzothiazol-2-yl)naphthalen-2-amine
CID 43305013
5-chloro-2-(5-methyl-1,3-benzothiazol-2-yl)aniline
CID 43305050
2-(5-methyl-1,3-benzothiazol-2-yl)-5-(trifluoromethyl)aniline
CID 79530408
2-bromo-5-(5-methyl-1,3-benzothiazol-2-yl)aniline
CID 107813631
2-(4-methylphenyl)-1,3-benzothiazol-5-amine
CID 67331050
3-methyl-4-(5-methyl-1,3-benzothiazol-2-yl)phenol
CID 136750938
3-(5-methyl-1,3-benzothiazol-2-yl)-5-(trifluoromethyl)aniline
CID 61235672
N,N,2-trimethyl-4-(5-methyl-1,3-benzothiazol-2-yl)aniline
CID 90144970

Frequently Asked Questions

What is the IUPAC name of 4-methyl-5-(5-methyl-1,3-benzothiazol-2-yl)thiophen-2-amine?
The IUPAC name of 4-methyl-5-(5-methyl-1,3-benzothiazol-2-yl)thiophen-2-amine (CID 43305023) is 4-methyl-5-(5-methyl-1,3-benzothiazol-2-yl)thiophen-2-amine.
What is the SMILES notation for 4-methyl-5-(5-methyl-1,3-benzothiazol-2-yl)thiophen-2-amine?
The canonical SMILES for 4-methyl-5-(5-methyl-1,3-benzothiazol-2-yl)thiophen-2-amine is Cc1ccc2sc(-c3sc(N)cc3C)nc2c1.
What is the InChIKey of 4-methyl-5-(5-methyl-1,3-benzothiazol-2-yl)thiophen-2-amine?
The InChIKey is PQSUYEHUQOQFLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2S2/c1-7-3-4-10-9(5-7)15-13(16-10)12-8(2)6-11(14)17-12/h3-6H,14H2,1-2H3.
What are the key properties of 4-methyl-5-(5-methyl-1,3-benzothiazol-2-yl)thiophen-2-amine?
4-methyl-5-(5-methyl-1,3-benzothiazol-2-yl)thiophen-2-amine has a molecular weight of 260.39 g/mol, XLogP of 4.22, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-5-(5-methyl-1,3-benzothiazol-2-yl)thiophen-2-amine is sourced from PubChem (CID 43305023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).