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

C15H24N2OS — CID 80683683

IUPACN-ethyl-2-(2-methyloxan-2-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine
SMILESCCNC1CCCc2nc(C3(C)CCCCO3)sc21
InChIInChI=1S/C15H24N2OS/c1-3-16-11-7-6-8-12-13(11)19-14(17-12)15(2)9-4-5-10-18-15/h11,16H,3-10H2,1-2H3
InChIKeyMAEMMOIWBQCZDK-UHFFFAOYSA-N
MW280.44 g/mol
LogP3.55
Rot. Bonds3

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

N-ethyl-2-(2-methyloxan-2-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine (PubChem CID 80683683) has the molecular formula C15H24N2OS and a molecular weight of 280.44 g/mol. Its IUPAC name is N-ethyl-2-(2-methyloxan-2-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine.

Molecular Properties

Compound NameN-ethyl-2-(2-methyloxan-2-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine
PubChem CID80683683
Molecular FormulaC15H24N2OS
Molecular Weight280.44 g/mol
Exact Mass280.16
IUPAC NameN-ethyl-2-(2-methyloxan-2-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine
SMILESCCNC1CCCc2nc(C3(C)CCCCO3)sc21
InChIInChI=1S/C15H24N2OS/c1-3-16-11-7-6-8-12-13(11)19-14(17-12)15(2)9-4-5-10-18-15/h11,16H,3-10H2,1-2H3
InChIKeyMAEMMOIWBQCZDK-UHFFFAOYSA-N
XLogP3.55
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.44
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N,5,5-trimethyl-2-(2-methyloxan-2-yl)-6,7-dihydro-4H-1,3-benzothiazol-7-amine
CID 80684193
N-ethyl-2-(2-methyloxan-2-yl)-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-5-amine
CID 107385351
N-ethyl-2-(5-ethylfuran-2-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine
CID 62345258
2-(4-chlorophenyl)-N-ethyl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine
CID 62080069
2-(1,1-dioxo-1,4-thiazinan-4-yl)-N-ethyl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine
CID 62752126
N-[[4-cyclopropyl-2-(2-methyloxan-2-yl)-1,3-thiazol-5-yl]methyl]cyclopropanamine
CID 114367687
2-(4,4-dimethylpiperidin-1-yl)-N-propyl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine
CID 62931707
4-[7-(ethylamino)-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]piperazine-2,6-dione
CID 66063765
7-N-ethyl-2-N,2-N-bis(2-methylpropyl)-4,5,6,7-tetrahydro-1,3-benzothiazole-2,7-diamine
CID 63512877
2-(2-methyloxan-2-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-4-amine
CID 80684802
N-ethyl-2-(2-methoxypropyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine
CID 113391637
2-N-(cyclopropylmethyl)-2-N,7-N-diethyl-4,5,6,7-tetrahydro-1,3-benzothiazole-2,7-diamine
CID 63938747

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-(2-methyloxan-2-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine?
The IUPAC name of N-ethyl-2-(2-methyloxan-2-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine (CID 80683683) is N-ethyl-2-(2-methyloxan-2-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine.
What is the SMILES notation for N-ethyl-2-(2-methyloxan-2-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine?
The canonical SMILES for N-ethyl-2-(2-methyloxan-2-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine is CCNC1CCCc2nc(C3(C)CCCCO3)sc21.
What is the InChIKey of N-ethyl-2-(2-methyloxan-2-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine?
The InChIKey is MAEMMOIWBQCZDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2OS/c1-3-16-11-7-6-8-12-13(11)19-14(17-12)15(2)9-4-5-10-18-15/h11,16H,3-10H2,1-2H3.
What are the key properties of N-ethyl-2-(2-methyloxan-2-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine?
N-ethyl-2-(2-methyloxan-2-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine has a molecular weight of 280.44 g/mol, XLogP of 3.55, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-(2-methyloxan-2-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine is sourced from PubChem (CID 80683683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).