N-(4,6-dimethylpyrimidin-2-yl)-6-ethyl-1,3-benzothiazol-2-amine

C15H16N4S — CID 108778357

IUPACN-(4,6-dimethylpyrimidin-2-yl)-6-ethyl-1,3-benzothiazol-2-amine
SMILESCCc1ccc2nc(Nc3nc(C)cc(C)n3)sc2c1
InChIInChI=1S/C15H16N4S/c1-4-11-5-6-12-13(8-11)20-15(18-12)19-14-16-9(2)7-10(3)17-14/h5-8H,4H2,1-3H3,(H,16,17,18,19)
InChIKeyBBXSMEAXIUCJPF-UHFFFAOYSA-N
MW284.39 g/mol
LogP4.01
Rot. Bonds3

About N-(4,6-dimethylpyrimidin-2-yl)-6-ethyl-1,3-benzothiazol-2-amine

N-(4,6-dimethylpyrimidin-2-yl)-6-ethyl-1,3-benzothiazol-2-amine (PubChem CID 108778357) has the molecular formula C15H16N4S and a molecular weight of 284.39 g/mol. Its IUPAC name is N-(4,6-dimethylpyrimidin-2-yl)-6-ethyl-1,3-benzothiazol-2-amine.

Molecular Properties

Compound NameN-(4,6-dimethylpyrimidin-2-yl)-6-ethyl-1,3-benzothiazol-2-amine
PubChem CID108778357
Molecular FormulaC15H16N4S
Molecular Weight284.39 g/mol
Exact Mass284.11
IUPAC NameN-(4,6-dimethylpyrimidin-2-yl)-6-ethyl-1,3-benzothiazol-2-amine
SMILESCCc1ccc2nc(Nc3nc(C)cc(C)n3)sc2c1
InChIInChI=1S/C15H16N4S/c1-4-11-5-6-12-13(8-11)20-15(18-12)19-14-16-9(2)7-10(3)17-14/h5-8H,4H2,1-3H3,(H,16,17,18,19)
InChIKeyBBXSMEAXIUCJPF-UHFFFAOYSA-N
XLogP4.01
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.39
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-N-(4,6-dimethylpyrimidin-2-yl)-4-N-(6-ethyl-1,3-benzothiazol-2-yl)benzene-1,4-diamine
CID 108777584
6-ethyl-N-(3-methylquinoxalin-2-yl)-1,3-benzothiazol-2-amine
CID 108778366
N-(6-ethoxy-1,3-benzothiazol-2-yl)-6-ethyl-1,3-benzothiazol-2-amine
CID 108779484
6-ethyl-N-pyridin-2-yl-1,3-benzothiazol-2-amine
CID 132581598
6-methyl-2-[(6-methyl-1,3-benzothiazol-2-yl)amino]pyrimidine-4-carbonitrile
CID 107543341
6-ethyl-N-(3-ethylsulfanyl-1H-1,2,4-triazol-5-yl)-1,3-benzothiazol-2-amine
CID 108773939
N-(6-ethyl-1,3-benzothiazol-2-yl)butanamide
CID 2410170
6-ethyl-N-[4-methyl-5-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]-1,3-benzothiazol-2-amine
CID 108771860
6-ethyl-N-[(2-methyl-3-pyridinyl)methyl]-1,3-benzothiazol-2-amine
CID 162380533
6-ethyl-2-[(6-ethyl-1,3-benzothiazol-2-yl)disulfanyl]-1,3-benzothiazole
CID 18330964
N-(4,6-dimethylpyrimidin-2-yl)-6-(4-methylpiperazin-1-yl)sulfonyl-1,3-benzothiazol-2-amine
CID 108777308
3-chloro-N-(6-ethyl-1,3-benzothiazol-2-yl)-2,2-dimethylpropanamide
CID 108767769

Frequently Asked Questions

What is the IUPAC name of N-(4,6-dimethylpyrimidin-2-yl)-6-ethyl-1,3-benzothiazol-2-amine?
The IUPAC name of N-(4,6-dimethylpyrimidin-2-yl)-6-ethyl-1,3-benzothiazol-2-amine (CID 108778357) is N-(4,6-dimethylpyrimidin-2-yl)-6-ethyl-1,3-benzothiazol-2-amine.
What is the SMILES notation for N-(4,6-dimethylpyrimidin-2-yl)-6-ethyl-1,3-benzothiazol-2-amine?
The canonical SMILES for N-(4,6-dimethylpyrimidin-2-yl)-6-ethyl-1,3-benzothiazol-2-amine is CCc1ccc2nc(Nc3nc(C)cc(C)n3)sc2c1.
What is the InChIKey of N-(4,6-dimethylpyrimidin-2-yl)-6-ethyl-1,3-benzothiazol-2-amine?
The InChIKey is BBXSMEAXIUCJPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4S/c1-4-11-5-6-12-13(8-11)20-15(18-12)19-14-16-9(2)7-10(3)17-14/h5-8H,4H2,1-3H3,(H,16,17,18,19).
What are the key properties of N-(4,6-dimethylpyrimidin-2-yl)-6-ethyl-1,3-benzothiazol-2-amine?
N-(4,6-dimethylpyrimidin-2-yl)-6-ethyl-1,3-benzothiazol-2-amine has a molecular weight of 284.39 g/mol, XLogP of 4.01, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,6-dimethylpyrimidin-2-yl)-6-ethyl-1,3-benzothiazol-2-amine is sourced from PubChem (CID 108778357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).