N-ethyl-2-(3-ethylimidazol-4-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine

C14H20N4S — CID 66134215

IUPACN-ethyl-2-(3-ethylimidazol-4-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine
SMILESCCNC1CCCc2nc(-c3cncn3CC)sc21
InChIInChI=1S/C14H20N4S/c1-3-16-10-6-5-7-11-13(10)19-14(17-11)12-8-15-9-18(12)4-2/h8-10,16H,3-7H2,1-2H3
InChIKeyMJIBAAWVYVQOKA-UHFFFAOYSA-N
MW276.41 g/mol
LogP3.01
Rot. Bonds4

About N-ethyl-2-(3-ethylimidazol-4-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine

N-ethyl-2-(3-ethylimidazol-4-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine (PubChem CID 66134215) has the molecular formula C14H20N4S and a molecular weight of 276.41 g/mol. Its IUPAC name is N-ethyl-2-(3-ethylimidazol-4-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine.

Molecular Properties

Compound NameN-ethyl-2-(3-ethylimidazol-4-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine
PubChem CID66134215
Molecular FormulaC14H20N4S
Molecular Weight276.41 g/mol
Exact Mass276.14
IUPAC NameN-ethyl-2-(3-ethylimidazol-4-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine
SMILESCCNC1CCCc2nc(-c3cncn3CC)sc21
InChIInChI=1S/C14H20N4S/c1-3-16-10-6-5-7-11-13(10)19-14(17-11)12-8-15-9-18(12)4-2/h8-10,16H,3-7H2,1-2H3
InChIKeyMJIBAAWVYVQOKA-UHFFFAOYSA-N
XLogP3.01
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.41
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-ethyl-2-(1-methylpyrazol-4-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine
CID 62091832
N-methyl-2-(3-methylimidazol-4-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine
CID 66117235
2-(4-chlorophenyl)-N-ethyl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine
CID 62080069
N-ethyl-2-thiophen-3-yl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine
CID 55032704
N-ethyl-2-(5-ethylfuran-2-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine
CID 62345258
2-(2,4-difluorophenyl)-N-ethyl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine
CID 62795811
N-ethyl-2-(3-ethyl-2-pyridinyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine
CID 82740930
2-(4-bromo-3-fluorophenyl)-N-ethyl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine
CID 81441838
2-(3-bromo-4-fluorophenyl)-N-ethyl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine
CID 82800740
N-ethyl-2-(2-ethylpiperidin-1-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine
CID 62750084
2-N,7-N-diethyl-2-N-(2,2,2-trifluoroethyl)-4,5,6,7-tetrahydro-1,3-benzothiazole-2,7-diamine
CID 62752681
2-(1,3-dihydroisoindol-2-yl)-N-ethyl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine
CID 62752674

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-(3-ethylimidazol-4-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine?
The IUPAC name of N-ethyl-2-(3-ethylimidazol-4-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine (CID 66134215) is N-ethyl-2-(3-ethylimidazol-4-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine.
What is the SMILES notation for N-ethyl-2-(3-ethylimidazol-4-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine?
The canonical SMILES for N-ethyl-2-(3-ethylimidazol-4-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine is CCNC1CCCc2nc(-c3cncn3CC)sc21.
What is the InChIKey of N-ethyl-2-(3-ethylimidazol-4-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine?
The InChIKey is MJIBAAWVYVQOKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4S/c1-3-16-10-6-5-7-11-13(10)19-14(17-11)12-8-15-9-18(12)4-2/h8-10,16H,3-7H2,1-2H3.
What are the key properties of N-ethyl-2-(3-ethylimidazol-4-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine?
N-ethyl-2-(3-ethylimidazol-4-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine has a molecular weight of 276.41 g/mol, XLogP of 3.01, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-(3-ethylimidazol-4-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine is sourced from PubChem (CID 66134215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).