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

C18H30N2S — CID 63405345

IUPACN-ethyl-4-propyl-1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)cyclohexan-1-amine
SMILESCCCC1CCC(NCC)(c2nc3c(s2)CCCC3)CC1
InChIInChI=1S/C18H30N2S/c1-3-7-14-10-12-18(13-11-14,19-4-2)17-20-15-8-5-6-9-16(15)21-17/h14,19H,3-13H2,1-2H3
InChIKeyMFERCYMZRQFVNG-UHFFFAOYSA-N
MW306.52 g/mol
LogP4.82
Rot. Bonds5

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

N-ethyl-4-propyl-1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)cyclohexan-1-amine (PubChem CID 63405345) has the molecular formula C18H30N2S and a molecular weight of 306.52 g/mol. Its IUPAC name is N-ethyl-4-propyl-1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)cyclohexan-1-amine.

Molecular Properties

Compound NameN-ethyl-4-propyl-1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)cyclohexan-1-amine
PubChem CID63405345
Molecular FormulaC18H30N2S
Molecular Weight306.52 g/mol
Exact Mass306.21
IUPAC NameN-ethyl-4-propyl-1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)cyclohexan-1-amine
SMILESCCCC1CCC(NCC)(c2nc3c(s2)CCCC3)CC1
InChIInChI=1S/C18H30N2S/c1-3-7-14-10-12-18(13-11-14,19-4-2)17-20-15-8-5-6-9-16(15)21-17/h14,19H,3-13H2,1-2H3
InChIKeyMFERCYMZRQFVNG-UHFFFAOYSA-N
XLogP4.82
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.52
LogP ≤ 54.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-propyl-1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)cyclohexan-1-amine?
The IUPAC name of N-ethyl-4-propyl-1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)cyclohexan-1-amine (CID 63405345) is N-ethyl-4-propyl-1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)cyclohexan-1-amine.
What is the SMILES notation for N-ethyl-4-propyl-1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)cyclohexan-1-amine?
The canonical SMILES for N-ethyl-4-propyl-1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)cyclohexan-1-amine is CCCC1CCC(NCC)(c2nc3c(s2)CCCC3)CC1.
What is the InChIKey of N-ethyl-4-propyl-1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)cyclohexan-1-amine?
The InChIKey is MFERCYMZRQFVNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2S/c1-3-7-14-10-12-18(13-11-14,19-4-2)17-20-15-8-5-6-9-16(15)21-17/h14,19H,3-13H2,1-2H3.
What are the key properties of N-ethyl-4-propyl-1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)cyclohexan-1-amine?
N-ethyl-4-propyl-1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)cyclohexan-1-amine has a molecular weight of 306.52 g/mol, XLogP of 4.82, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-propyl-1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)cyclohexan-1-amine is sourced from PubChem (CID 63405345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).