2-(1-ethoxy-4-methylcyclohexyl)-N-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-4-amine

C17H28N2OS — CID 116774647

IUPAC2-(1-ethoxy-4-methylcyclohexyl)-N-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-4-amine
SMILESCCOC1(c2nc3c(s2)CCCC3NC)CCC(C)CC1
InChIInChI=1S/C17H28N2OS/c1-4-20-17(10-8-12(2)9-11-17)16-19-15-13(18-3)6-5-7-14(15)21-16/h12-13,18H,4-11H2,1-3H3
InChIKeyQFOTWDURYAVLSD-UHFFFAOYSA-N
MW308.49 g/mol
LogP4.18
Rot. Bonds4

About 2-(1-ethoxy-4-methylcyclohexyl)-N-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-4-amine

2-(1-ethoxy-4-methylcyclohexyl)-N-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-4-amine (PubChem CID 116774647) has the molecular formula C17H28N2OS and a molecular weight of 308.49 g/mol. Its IUPAC name is 2-(1-ethoxy-4-methylcyclohexyl)-N-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-4-amine.

Molecular Properties

Compound Name2-(1-ethoxy-4-methylcyclohexyl)-N-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-4-amine
PubChem CID116774647
Molecular FormulaC17H28N2OS
Molecular Weight308.49 g/mol
Exact Mass308.19
IUPAC Name2-(1-ethoxy-4-methylcyclohexyl)-N-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-4-amine
SMILESCCOC1(c2nc3c(s2)CCCC3NC)CCC(C)CC1
InChIInChI=1S/C17H28N2OS/c1-4-20-17(10-8-12(2)9-11-17)16-19-15-13(18-3)6-5-7-14(15)21-16/h12-13,18H,4-11H2,1-3H3
InChIKeyQFOTWDURYAVLSD-UHFFFAOYSA-N
XLogP4.18
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.49
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(1-ethoxy-4-methylcyclohexyl)-N-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(1-methoxycyclohexyl)-N-propyl-4,5,6,7-tetrahydro-1,3-benzothiazol-4-amine
CID 116774684
1-[2-(1-ethoxy-4-methylcyclohexyl)-4-methyl-1,3-thiazol-5-yl]-N-methylethanamine
CID 116774239
N-[[4-cyclopropyl-2-(1-ethoxycyclopentyl)-1,3-thiazol-5-yl]methyl]ethanamine
CID 114367152
2-cyclopentyl-N-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-4-amine
CID 64975636
N-methyl-2-propan-2-yl-4,5,6,7-tetrahydro-1,3-benzothiazol-4-amine
CID 64975639
1-[4-cyclopropyl-2-(1-methoxy-4-methylcyclohexyl)-1,3-thiazol-5-yl]-N-methylmethanamine
CID 114366904
[2-(1-ethoxy-4-methylcyclohexyl)-4-(2-methylpropyl)-1,3-thiazol-5-yl]methanamine
CID 114362011
2-(4,4-dimethylazepan-1-yl)-N-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-4-amine
CID 65286484
N-methyl-2-(4-propylpiperazin-1-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-4-amine
CID 64976997
N-methyl-2-(4-propan-2-ylpiperidin-1-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-4-amine
CID 103503605
2-(1-ethoxy-4-methylcyclohexyl)-5-propan-2-yl-1,3-thiazole
CID 116782816
2-N-(4-ethylcyclohexyl)-2-N,4-N-dimethyl-4,5,6,7-tetrahydro-1,3-benzothiazole-2,4-diamine
CID 64977177

Frequently Asked Questions

What is the IUPAC name of 2-(1-ethoxy-4-methylcyclohexyl)-N-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-4-amine?
The IUPAC name of 2-(1-ethoxy-4-methylcyclohexyl)-N-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-4-amine (CID 116774647) is 2-(1-ethoxy-4-methylcyclohexyl)-N-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-4-amine.
What is the SMILES notation for 2-(1-ethoxy-4-methylcyclohexyl)-N-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-4-amine?
The canonical SMILES for 2-(1-ethoxy-4-methylcyclohexyl)-N-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-4-amine is CCOC1(c2nc3c(s2)CCCC3NC)CCC(C)CC1.
What is the InChIKey of 2-(1-ethoxy-4-methylcyclohexyl)-N-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-4-amine?
The InChIKey is QFOTWDURYAVLSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2OS/c1-4-20-17(10-8-12(2)9-11-17)16-19-15-13(18-3)6-5-7-14(15)21-16/h12-13,18H,4-11H2,1-3H3.
What are the key properties of 2-(1-ethoxy-4-methylcyclohexyl)-N-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-4-amine?
2-(1-ethoxy-4-methylcyclohexyl)-N-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-4-amine has a molecular weight of 308.49 g/mol, XLogP of 4.18, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-ethoxy-4-methylcyclohexyl)-N-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-4-amine is sourced from PubChem (CID 116774647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).