6-ethyl-4-methyl-7-propan-2-yl-1,3-benzothiazol-2-amine

C13H18N2S — CID 170676483

IUPAC6-ethyl-4-methyl-7-propan-2-yl-1,3-benzothiazol-2-amine
SMILESCCc1cc(C)c2nc(N)sc2c1C(C)C
InChIInChI=1S/C13H18N2S/c1-5-9-6-8(4)11-12(10(9)7(2)3)16-13(14)15-11/h6-7H,5H2,1-4H3,(H2,14,15)
InChIKeyHBDCESPYRKBGGJ-UHFFFAOYSA-N
MW234.37 g/mol
LogP3.87
Rot. Bonds2

About 6-ethyl-4-methyl-7-propan-2-yl-1,3-benzothiazol-2-amine

6-ethyl-4-methyl-7-propan-2-yl-1,3-benzothiazol-2-amine (PubChem CID 170676483) has the molecular formula C13H18N2S and a molecular weight of 234.37 g/mol. Its IUPAC name is 6-ethyl-4-methyl-7-propan-2-yl-1,3-benzothiazol-2-amine.

Molecular Properties

Compound Name6-ethyl-4-methyl-7-propan-2-yl-1,3-benzothiazol-2-amine
PubChem CID170676483
Molecular FormulaC13H18N2S
Molecular Weight234.37 g/mol
Exact Mass234.12
IUPAC Name6-ethyl-4-methyl-7-propan-2-yl-1,3-benzothiazol-2-amine
SMILESCCc1cc(C)c2nc(N)sc2c1C(C)C
InChIInChI=1S/C13H18N2S/c1-5-9-6-8(4)11-12(10(9)7(2)3)16-13(14)15-11/h6-7H,5H2,1-4H3,(H2,14,15)
InChIKeyHBDCESPYRKBGGJ-UHFFFAOYSA-N
XLogP3.87
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.37
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-methyl-7-propan-2-yl-6-(tritiooxydisulfanyl)-1,3-benzothiazol-2-amine
CID 59043012
5-fluoro-7-methyl-4-propan-2-yl-1,3-benzothiazol-2-amine
CID 166533290
5,7-difluoro-4-propan-2-yl-1,3-benzothiazol-2-amine
CID 164904591
CID 89301281
CID 89301281
5-ethyl-4-propan-2-yl-6-(trifluoromethyl)-1,3-benzothiazol-2-amine
CID 170676628
6-bromo-4-ethyl-1,3-benzothiazol-2-amine
CID 3413695
2-amino-4-chloro-5,7-di(propan-2-yl)-1,3-benzothiazol-6-ol
CID 14700255
N-ethyl-6-methoxy-4-methyl-7-propan-2-yl-1,3-benzothiazol-2-amine
CID 82548734
5,7-dimethyl-4-propan-2-yloxy-1,3-benzothiazol-2-amine
CID 82549825
(2-amino-4-methyl-1,3-benzothiazol-6-yl) acetate
CID 174710079
2-amino-4-ethyl-1,3-benzothiazole-6-carboxylic acid
CID 87417576
4-chloro-6-ethyl-1,3-benzothiazol-2-amine
CID 30029861

Frequently Asked Questions

What is the IUPAC name of 6-ethyl-4-methyl-7-propan-2-yl-1,3-benzothiazol-2-amine?
The IUPAC name of 6-ethyl-4-methyl-7-propan-2-yl-1,3-benzothiazol-2-amine (CID 170676483) is 6-ethyl-4-methyl-7-propan-2-yl-1,3-benzothiazol-2-amine.
What is the SMILES notation for 6-ethyl-4-methyl-7-propan-2-yl-1,3-benzothiazol-2-amine?
The canonical SMILES for 6-ethyl-4-methyl-7-propan-2-yl-1,3-benzothiazol-2-amine is CCc1cc(C)c2nc(N)sc2c1C(C)C.
What is the InChIKey of 6-ethyl-4-methyl-7-propan-2-yl-1,3-benzothiazol-2-amine?
The InChIKey is HBDCESPYRKBGGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2S/c1-5-9-6-8(4)11-12(10(9)7(2)3)16-13(14)15-11/h6-7H,5H2,1-4H3,(H2,14,15).
What are the key properties of 6-ethyl-4-methyl-7-propan-2-yl-1,3-benzothiazol-2-amine?
6-ethyl-4-methyl-7-propan-2-yl-1,3-benzothiazol-2-amine has a molecular weight of 234.37 g/mol, XLogP of 3.87, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-4-methyl-7-propan-2-yl-1,3-benzothiazol-2-amine is sourced from PubChem (CID 170676483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).