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

C17H28N2S — CID 65084641

IUPACN-ethyl-4-methyl-1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)cycloheptan-1-amine
SMILESCCNC1(c2nc3c(s2)CCCC3)CCCC(C)CC1
InChIInChI=1S/C17H28N2S/c1-3-18-17(11-6-7-13(2)10-12-17)16-19-14-8-4-5-9-15(14)20-16/h13,18H,3-12H2,1-2H3
InChIKeyGWVRDOTWDXBLNW-UHFFFAOYSA-N
MW292.49 g/mol
LogP4.43
Rot. Bonds3

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

N-ethyl-4-methyl-1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)cycloheptan-1-amine (PubChem CID 65084641) has the molecular formula C17H28N2S and a molecular weight of 292.49 g/mol. Its IUPAC name is N-ethyl-4-methyl-1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)cycloheptan-1-amine.

Molecular Properties

Compound NameN-ethyl-4-methyl-1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)cycloheptan-1-amine
PubChem CID65084641
Molecular FormulaC17H28N2S
Molecular Weight292.49 g/mol
Exact Mass292.20
IUPAC NameN-ethyl-4-methyl-1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)cycloheptan-1-amine
SMILESCCNC1(c2nc3c(s2)CCCC3)CCCC(C)CC1
InChIInChI=1S/C17H28N2S/c1-3-18-17(11-6-7-13(2)10-12-17)16-19-14-8-4-5-9-15(14)20-16/h13,18H,3-12H2,1-2H3
InChIKeyGWVRDOTWDXBLNW-UHFFFAOYSA-N
XLogP4.43
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.49
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-N-ethyl-3-methylcyclopentan-1-amine
CID 64513823
1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-N,4-diethylcycloheptan-1-amine
CID 65086029
1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-N-ethylcyclooctan-1-amine
CID 61332209
N-ethyl-4-propyl-1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)cyclohexan-1-amine
CID 63405345
N-cyclopropyl-4-methyl-1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)cyclohexan-1-amine
CID 61335863
N-ethyl-4-methyl-1-(4-methyl-1,3-thiazol-2-yl)cycloheptan-1-amine
CID 65085428
N-cyclopropyl-3-methyl-1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)cyclopentan-1-amine
CID 64513827
1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-N-ethyl-3,3,5-trimethylcyclohexan-1-amine
CID 61332392
N-ethyl-2-methyl-1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)cyclohexan-1-amine
CID 61331038
1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-N-propylcyclobutan-1-amine
CID 61333808
1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-4-methylcycloheptan-1-amine
CID 65085220
N-cyclopropyl-1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-3-methylcyclopentan-1-amine
CID 64513598

Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-methyl-1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)cycloheptan-1-amine?
The IUPAC name of N-ethyl-4-methyl-1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)cycloheptan-1-amine (CID 65084641) is N-ethyl-4-methyl-1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)cycloheptan-1-amine.
What is the SMILES notation for N-ethyl-4-methyl-1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)cycloheptan-1-amine?
The canonical SMILES for N-ethyl-4-methyl-1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)cycloheptan-1-amine is CCNC1(c2nc3c(s2)CCCC3)CCCC(C)CC1.
What is the InChIKey of N-ethyl-4-methyl-1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)cycloheptan-1-amine?
The InChIKey is GWVRDOTWDXBLNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2S/c1-3-18-17(11-6-7-13(2)10-12-17)16-19-14-8-4-5-9-15(14)20-16/h13,18H,3-12H2,1-2H3.
What are the key properties of N-ethyl-4-methyl-1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)cycloheptan-1-amine?
N-ethyl-4-methyl-1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)cycloheptan-1-amine has a molecular weight of 292.49 g/mol, XLogP of 4.43, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-methyl-1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)cycloheptan-1-amine is sourced from PubChem (CID 65084641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).