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

C14H14N2S2 — CID 43305024

IUPAC4,5-dimethyl-3-(5-methyl-1,3-benzothiazol-2-yl)thiophen-2-amine
SMILESCc1ccc2sc(-c3c(N)sc(C)c3C)nc2c1
InChIInChI=1S/C14H14N2S2/c1-7-4-5-11-10(6-7)16-14(18-11)12-8(2)9(3)17-13(12)15/h4-6H,15H2,1-3H3
InChIKeyHUMCUNRALFOGEY-UHFFFAOYSA-N
MW274.41 g/mol
LogP4.53
Rot. Bonds1

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

4,5-dimethyl-3-(5-methyl-1,3-benzothiazol-2-yl)thiophen-2-amine (PubChem CID 43305024) has the molecular formula C14H14N2S2 and a molecular weight of 274.41 g/mol. Its IUPAC name is 4,5-dimethyl-3-(5-methyl-1,3-benzothiazol-2-yl)thiophen-2-amine.

Molecular Properties

Compound Name4,5-dimethyl-3-(5-methyl-1,3-benzothiazol-2-yl)thiophen-2-amine
PubChem CID43305024
Molecular FormulaC14H14N2S2
Molecular Weight274.41 g/mol
Exact Mass274.06
IUPAC Name4,5-dimethyl-3-(5-methyl-1,3-benzothiazol-2-yl)thiophen-2-amine
SMILESCc1ccc2sc(-c3c(N)sc(C)c3C)nc2c1
InChIInChI=1S/C14H14N2S2/c1-7-4-5-11-10(6-7)16-14(18-11)12-8(2)9(3)17-13(12)15/h4-6H,15H2,1-3H3
InChIKeyHUMCUNRALFOGEY-UHFFFAOYSA-N
XLogP4.53
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.41
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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-methyl-5-(5-methyl-1,3-benzothiazol-2-yl)thiophen-2-amine
CID 43305023
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
(5-methyl-1,3-benzothiazol-2-yl)methanamine;dihydrochloride
CID 126806025
3-(5-methyl-1,3-benzothiazol-2-yl)-5-(trifluoromethyl)aniline
CID 61235672
[3-methyl-2-(5-methyl-1,3-benzothiazol-2-yl)phenyl] acetate
CID 135069738
2-(2-bromophenyl)-5-methyl-1,3-benzothiazole
CID 174756621

Frequently Asked Questions

What is the IUPAC name of 4,5-dimethyl-3-(5-methyl-1,3-benzothiazol-2-yl)thiophen-2-amine?
The IUPAC name of 4,5-dimethyl-3-(5-methyl-1,3-benzothiazol-2-yl)thiophen-2-amine (CID 43305024) is 4,5-dimethyl-3-(5-methyl-1,3-benzothiazol-2-yl)thiophen-2-amine.
What is the SMILES notation for 4,5-dimethyl-3-(5-methyl-1,3-benzothiazol-2-yl)thiophen-2-amine?
The canonical SMILES for 4,5-dimethyl-3-(5-methyl-1,3-benzothiazol-2-yl)thiophen-2-amine is Cc1ccc2sc(-c3c(N)sc(C)c3C)nc2c1.
What is the InChIKey of 4,5-dimethyl-3-(5-methyl-1,3-benzothiazol-2-yl)thiophen-2-amine?
The InChIKey is HUMCUNRALFOGEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2S2/c1-7-4-5-11-10(6-7)16-14(18-11)12-8(2)9(3)17-13(12)15/h4-6H,15H2,1-3H3.
What are the key properties of 4,5-dimethyl-3-(5-methyl-1,3-benzothiazol-2-yl)thiophen-2-amine?
4,5-dimethyl-3-(5-methyl-1,3-benzothiazol-2-yl)thiophen-2-amine has a molecular weight of 274.41 g/mol, XLogP of 4.53, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dimethyl-3-(5-methyl-1,3-benzothiazol-2-yl)thiophen-2-amine is sourced from PubChem (CID 43305024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).