6-ethyl-N-[(2-methyl-3-pyridinyl)methyl]-1,3-benzothiazol-2-amine

C16H17N3S — CID 162380533

IUPAC6-ethyl-N-[(2-methyl-3-pyridinyl)methyl]-1,3-benzothiazol-2-amine
SMILESCCc1ccc2nc(NCc3cccnc3C)sc2c1
InChIInChI=1S/C16H17N3S/c1-3-12-6-7-14-15(9-12)20-16(19-14)18-10-13-5-4-8-17-11(13)2/h4-9H,3,10H2,1-2H3,(H,18,19)
InChIKeyYJRPPUICMQIJIZ-UHFFFAOYSA-N
MW283.40 g/mol
LogP4.17
Rot. Bonds4

About 6-ethyl-N-[(2-methyl-3-pyridinyl)methyl]-1,3-benzothiazol-2-amine

6-ethyl-N-[(2-methyl-3-pyridinyl)methyl]-1,3-benzothiazol-2-amine (PubChem CID 162380533) has the molecular formula C16H17N3S and a molecular weight of 283.40 g/mol. Its IUPAC name is 6-ethyl-N-[(2-methyl-3-pyridinyl)methyl]-1,3-benzothiazol-2-amine.

Molecular Properties

Compound Name6-ethyl-N-[(2-methyl-3-pyridinyl)methyl]-1,3-benzothiazol-2-amine
PubChem CID162380533
Molecular FormulaC16H17N3S
Molecular Weight283.40 g/mol
Exact Mass283.11
IUPAC Name6-ethyl-N-[(2-methyl-3-pyridinyl)methyl]-1,3-benzothiazol-2-amine
SMILESCCc1ccc2nc(NCc3cccnc3C)sc2c1
InChIInChI=1S/C16H17N3S/c1-3-12-6-7-14-15(9-12)20-16(19-14)18-10-13-5-4-8-17-11(13)2/h4-9H,3,10H2,1-2H3,(H,18,19)
InChIKeyYJRPPUICMQIJIZ-UHFFFAOYSA-N
XLogP4.17
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.40
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 6-ethyl-N-[(2-methyl-3-pyridinyl)methyl]-1,3-benzothiazol-2-amine with MolForge

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Related Compounds

6-ethyl-N-(pyridazin-3-ylmethyl)-1,3-benzothiazol-2-amine
CID 162380372
6-ethyl-N-pyridin-2-yl-1,3-benzothiazol-2-amine
CID 132581598
6-chloro-N-[(4-ethylphenyl)methyl]-1,3-benzothiazol-2-amine
CID 106900344
6-ethyl-N-(3-methylquinoxalin-2-yl)-1,3-benzothiazol-2-amine
CID 108778366
6-ethyl-N-[[4-[4-(4-methylphenyl)-1,3-thiazol-2-yl]phenyl]methyl]-1,3-benzothiazol-2-amine
CID 108775753
6-bromo-N-[(3-methyl-2-pyridinyl)methyl]-1,3-benzothiazol-2-amine
CID 79528692
N-[(2-methoxyphenyl)methyl]-6-methyl-1,3-benzothiazol-2-amine
CID 79142914
N-(4,6-dimethylpyrimidin-2-yl)-6-ethyl-1,3-benzothiazol-2-amine
CID 108778357
N-[(4-fluorophenyl)methyl]-6-methyl-1,3-benzothiazol-2-amine
CID 71628497
N,6-dibenzyl-1,3-benzothiazol-2-amine
CID 82548710
N-(6-ethoxy-1,3-benzothiazol-2-yl)-6-ethyl-1,3-benzothiazol-2-amine
CID 108779484
ethyl 2-[(2-methylphenyl)methylamino]-1,3-benzothiazole-6-carboxylate
CID 110827349

Frequently Asked Questions

What is the IUPAC name of 6-ethyl-N-[(2-methyl-3-pyridinyl)methyl]-1,3-benzothiazol-2-amine?
The IUPAC name of 6-ethyl-N-[(2-methyl-3-pyridinyl)methyl]-1,3-benzothiazol-2-amine (CID 162380533) is 6-ethyl-N-[(2-methyl-3-pyridinyl)methyl]-1,3-benzothiazol-2-amine.
What is the SMILES notation for 6-ethyl-N-[(2-methyl-3-pyridinyl)methyl]-1,3-benzothiazol-2-amine?
The canonical SMILES for 6-ethyl-N-[(2-methyl-3-pyridinyl)methyl]-1,3-benzothiazol-2-amine is CCc1ccc2nc(NCc3cccnc3C)sc2c1.
What is the InChIKey of 6-ethyl-N-[(2-methyl-3-pyridinyl)methyl]-1,3-benzothiazol-2-amine?
The InChIKey is YJRPPUICMQIJIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3S/c1-3-12-6-7-14-15(9-12)20-16(19-14)18-10-13-5-4-8-17-11(13)2/h4-9H,3,10H2,1-2H3,(H,18,19).
What are the key properties of 6-ethyl-N-[(2-methyl-3-pyridinyl)methyl]-1,3-benzothiazol-2-amine?
6-ethyl-N-[(2-methyl-3-pyridinyl)methyl]-1,3-benzothiazol-2-amine has a molecular weight of 283.40 g/mol, XLogP of 4.17, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-N-[(2-methyl-3-pyridinyl)methyl]-1,3-benzothiazol-2-amine is sourced from PubChem (CID 162380533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).