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

C16H26N2S — CID 64756206

IUPACN,2,5-trimethyl-1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)cyclohexan-1-amine
SMILESCNC1(c2nc3c(s2)CCCC3)CC(C)CCC1C
InChIInChI=1S/C16H26N2S/c1-11-8-9-12(2)16(10-11,17-3)15-18-13-6-4-5-7-14(13)19-15/h11-12,17H,4-10H2,1-3H3
InChIKeyHVPSJWGGSSXTKQ-UHFFFAOYSA-N
MW278.46 g/mol
LogP3.89
Rot. Bonds2

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

N,2,5-trimethyl-1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)cyclohexan-1-amine (PubChem CID 64756206) has the molecular formula C16H26N2S and a molecular weight of 278.46 g/mol. Its IUPAC name is N,2,5-trimethyl-1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)cyclohexan-1-amine.

Molecular Properties

Compound NameN,2,5-trimethyl-1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)cyclohexan-1-amine
PubChem CID64756206
Molecular FormulaC16H26N2S
Molecular Weight278.46 g/mol
Exact Mass278.18
IUPAC NameN,2,5-trimethyl-1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)cyclohexan-1-amine
SMILESCNC1(c2nc3c(s2)CCCC3)CC(C)CCC1C
InChIInChI=1S/C16H26N2S/c1-11-8-9-12(2)16(10-11,17-3)15-18-13-6-4-5-7-14(13)19-15/h11-12,17H,4-10H2,1-3H3
InChIKeyHVPSJWGGSSXTKQ-UHFFFAOYSA-N
XLogP3.89
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.46
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N,2,5-trimethyl-1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)cyclohexan-1-amine?
The IUPAC name of N,2,5-trimethyl-1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)cyclohexan-1-amine (CID 64756206) is N,2,5-trimethyl-1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)cyclohexan-1-amine.
What is the SMILES notation for N,2,5-trimethyl-1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)cyclohexan-1-amine?
The canonical SMILES for N,2,5-trimethyl-1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)cyclohexan-1-amine is CNC1(c2nc3c(s2)CCCC3)CC(C)CCC1C.
What is the InChIKey of N,2,5-trimethyl-1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)cyclohexan-1-amine?
The InChIKey is HVPSJWGGSSXTKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2S/c1-11-8-9-12(2)16(10-11,17-3)15-18-13-6-4-5-7-14(13)19-15/h11-12,17H,4-10H2,1-3H3.
What are the key properties of N,2,5-trimethyl-1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)cyclohexan-1-amine?
N,2,5-trimethyl-1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)cyclohexan-1-amine has a molecular weight of 278.46 g/mol, XLogP of 3.89, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,2,5-trimethyl-1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)cyclohexan-1-amine is sourced from PubChem (CID 64756206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).