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

C18H28N2S — CID 64756212

IUPACN-cyclopropyl-2,5-dimethyl-1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)cyclohexan-1-amine
SMILESCC1CCC(C)C(NC2CC2)(c2nc3c(s2)CCCC3)C1
InChIInChI=1S/C18H28N2S/c1-12-7-8-13(2)18(11-12,20-14-9-10-14)17-19-15-5-3-4-6-16(15)21-17/h12-14,20H,3-11H2,1-2H3
InChIKeyDPEKBFJTCUKIMB-UHFFFAOYSA-N
MW304.50 g/mol
LogP4.43
Rot. Bonds3

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

N-cyclopropyl-2,5-dimethyl-1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)cyclohexan-1-amine (PubChem CID 64756212) has the molecular formula C18H28N2S and a molecular weight of 304.50 g/mol. Its IUPAC name is N-cyclopropyl-2,5-dimethyl-1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)cyclohexan-1-amine.

Molecular Properties

Compound NameN-cyclopropyl-2,5-dimethyl-1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)cyclohexan-1-amine
PubChem CID64756212
Molecular FormulaC18H28N2S
Molecular Weight304.50 g/mol
Exact Mass304.20
IUPAC NameN-cyclopropyl-2,5-dimethyl-1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)cyclohexan-1-amine
SMILESCC1CCC(C)C(NC2CC2)(c2nc3c(s2)CCCC3)C1
InChIInChI=1S/C18H28N2S/c1-12-7-8-13(2)18(11-12,20-14-9-10-14)17-19-15-5-3-4-6-16(15)21-17/h12-14,20H,3-11H2,1-2H3
InChIKeyDPEKBFJTCUKIMB-UHFFFAOYSA-N
XLogP4.43
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.50
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-cyclopropyl-2,5-dimethyl-1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)cyclohexan-1-amine with MolForge

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Related Compounds

N-cyclopropyl-1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-2,5-dimethylcyclohexan-1-amine
CID 64756005
N,2,5-trimethyl-1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)cyclohexan-1-amine
CID 64756206
1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-N,2,5-trimethylcyclohexan-1-amine
CID 64755999
N-cyclopropyl-3-methyl-1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)cyclopentan-1-amine
CID 64513827
N-cyclopropyl-1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-3-methylcyclopentan-1-amine
CID 64513598
N-cyclopropyl-4-methyl-1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)cyclohexan-1-amine
CID 61335863
1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-2,5-dimethylcyclohexan-1-amine
CID 64754364
N-cyclopropyl-3-propan-2-yl-1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)cyclobutan-1-amine
CID 103563952
N-cyclopropyl-3-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-1-azabicyclo[2.2.2]octan-3-amine
CID 61334495
1-(4-tert-butyl-1,3-thiazol-2-yl)-N-cyclopropyl-2,5-dimethylcyclohexan-1-amine
CID 64755801
N-ethyl-2-methyl-1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)cyclohexan-1-amine
CID 61331038
N-(2-methoxyethyl)-2-methyl-1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)cyclohexan-1-amine
CID 62541742

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2,5-dimethyl-1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)cyclohexan-1-amine?
The IUPAC name of N-cyclopropyl-2,5-dimethyl-1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)cyclohexan-1-amine (CID 64756212) is N-cyclopropyl-2,5-dimethyl-1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)cyclohexan-1-amine.
What is the SMILES notation for N-cyclopropyl-2,5-dimethyl-1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)cyclohexan-1-amine?
The canonical SMILES for N-cyclopropyl-2,5-dimethyl-1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)cyclohexan-1-amine is CC1CCC(C)C(NC2CC2)(c2nc3c(s2)CCCC3)C1.
What is the InChIKey of N-cyclopropyl-2,5-dimethyl-1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)cyclohexan-1-amine?
The InChIKey is DPEKBFJTCUKIMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2S/c1-12-7-8-13(2)18(11-12,20-14-9-10-14)17-19-15-5-3-4-6-16(15)21-17/h12-14,20H,3-11H2,1-2H3.
What are the key properties of N-cyclopropyl-2,5-dimethyl-1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)cyclohexan-1-amine?
N-cyclopropyl-2,5-dimethyl-1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)cyclohexan-1-amine has a molecular weight of 304.50 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-cyclopropyl-2,5-dimethyl-1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)cyclohexan-1-amine is sourced from PubChem (CID 64756212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).