6-methyl-N-(1-pyridin-3-ylethyl)-1,3-benzothiazol-2-amine

C15H15N3S — CID 79142414

IUPAC6-methyl-N-(1-pyridin-3-ylethyl)-1,3-benzothiazol-2-amine
SMILESCc1ccc2nc(NC(C)c3cccnc3)sc2c1
InChIInChI=1S/C15H15N3S/c1-10-5-6-13-14(8-10)19-15(18-13)17-11(2)12-4-3-7-16-9-12/h3-9,11H,1-2H3,(H,17,18)
InChIKeyYTMHEZHCWYDQHN-UHFFFAOYSA-N
MW269.37 g/mol
LogP4.17
Rot. Bonds3

About 6-methyl-N-(1-pyridin-3-ylethyl)-1,3-benzothiazol-2-amine

6-methyl-N-(1-pyridin-3-ylethyl)-1,3-benzothiazol-2-amine (PubChem CID 79142414) has the molecular formula C15H15N3S and a molecular weight of 269.37 g/mol. Its IUPAC name is 6-methyl-N-(1-pyridin-3-ylethyl)-1,3-benzothiazol-2-amine.

Molecular Properties

Compound Name6-methyl-N-(1-pyridin-3-ylethyl)-1,3-benzothiazol-2-amine
PubChem CID79142414
Molecular FormulaC15H15N3S
Molecular Weight269.37 g/mol
Exact Mass269.10
IUPAC Name6-methyl-N-(1-pyridin-3-ylethyl)-1,3-benzothiazol-2-amine
SMILESCc1ccc2nc(NC(C)c3cccnc3)sc2c1
InChIInChI=1S/C15H15N3S/c1-10-5-6-13-14(8-10)19-15(18-13)17-11(2)12-4-3-7-16-9-12/h3-9,11H,1-2H3,(H,17,18)
InChIKeyYTMHEZHCWYDQHN-UHFFFAOYSA-N
XLogP4.17
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.37
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-methyl-N-(1-phenylethyl)-1,3-benzothiazol-2-amine
CID 78908879
N-[1-(4-chlorophenyl)ethyl]-6-methyl-1,3-benzothiazol-2-amine
CID 79142758
N-[1-(2,5-dimethylfuran-3-yl)ethyl]-6-methyl-1,3-benzothiazol-2-amine
CID 79142593
5-methyl-2-(1-pyridin-3-ylethylamino)-1,3-thiazole-4-carboxylic acid
CID 115423528
N-(3-ethylpentan-2-yl)-6-methyl-1,3-benzothiazol-2-amine
CID 79143180
2-N-(1-pyridin-3-ylethyl)-1,3-thiazole-2,5-diamine
CID 102767611
N-[(1S)-1-phenylethyl]-1,3-benzothiazol-2-amine
CID 28533165
N-[1-(4-methoxyphenyl)ethyl]-5-methyl-1,3-benzothiazol-2-amine
CID 66241808
ethyl 5-methyl-2-(1-pyridin-3-ylethylamino)-1,3-thiazole-4-carboxylate
CID 116526509
5-methyl-2-(1-pyridin-3-ylethylamino)benzoic acid
CID 62514651
6-methyl-N-(3-phenylbutyl)-1,3-benzothiazol-2-amine
CID 79126739
6-methyl-N-(3-methyl-2-propan-2-ylbutyl)-1,3-benzothiazol-2-amine
CID 102906848

Frequently Asked Questions

What is the IUPAC name of 6-methyl-N-(1-pyridin-3-ylethyl)-1,3-benzothiazol-2-amine?
The IUPAC name of 6-methyl-N-(1-pyridin-3-ylethyl)-1,3-benzothiazol-2-amine (CID 79142414) is 6-methyl-N-(1-pyridin-3-ylethyl)-1,3-benzothiazol-2-amine.
What is the SMILES notation for 6-methyl-N-(1-pyridin-3-ylethyl)-1,3-benzothiazol-2-amine?
The canonical SMILES for 6-methyl-N-(1-pyridin-3-ylethyl)-1,3-benzothiazol-2-amine is Cc1ccc2nc(NC(C)c3cccnc3)sc2c1.
What is the InChIKey of 6-methyl-N-(1-pyridin-3-ylethyl)-1,3-benzothiazol-2-amine?
The InChIKey is YTMHEZHCWYDQHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3S/c1-10-5-6-13-14(8-10)19-15(18-13)17-11(2)12-4-3-7-16-9-12/h3-9,11H,1-2H3,(H,17,18).
What are the key properties of 6-methyl-N-(1-pyridin-3-ylethyl)-1,3-benzothiazol-2-amine?
6-methyl-N-(1-pyridin-3-ylethyl)-1,3-benzothiazol-2-amine has a molecular weight of 269.37 g/mol, XLogP of 4.17, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-N-(1-pyridin-3-ylethyl)-1,3-benzothiazol-2-amine is sourced from PubChem (CID 79142414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).