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

C16H28N2S — CID 114868544

IUPAC2,6-dimethyl-4-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)heptan-4-amine
SMILESCC(C)CC(N)(CC(C)C)c1nc2c(s1)CCCC2
InChIInChI=1S/C16H28N2S/c1-11(2)9-16(17,10-12(3)4)15-18-13-7-5-6-8-14(13)19-15/h11-12H,5-10,17H2,1-4H3
InChIKeyAIHWZULUJXDUMF-UHFFFAOYSA-N
MW280.48 g/mol
LogP4.27
Rot. Bonds5

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

2,6-dimethyl-4-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)heptan-4-amine (PubChem CID 114868544) has the molecular formula C16H28N2S and a molecular weight of 280.48 g/mol. Its IUPAC name is 2,6-dimethyl-4-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)heptan-4-amine.

Molecular Properties

Compound Name2,6-dimethyl-4-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)heptan-4-amine
PubChem CID114868544
Molecular FormulaC16H28N2S
Molecular Weight280.48 g/mol
Exact Mass280.20
IUPAC Name2,6-dimethyl-4-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)heptan-4-amine
SMILESCC(C)CC(N)(CC(C)C)c1nc2c(s1)CCCC2
InChIInChI=1S/C16H28N2S/c1-11(2)9-16(17,10-12(3)4)15-18-13-7-5-6-8-14(13)19-15/h11-12H,5-10,17H2,1-4H3
InChIKeyAIHWZULUJXDUMF-UHFFFAOYSA-N
XLogP4.27
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.48
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

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Related Compounds

2-(4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[d][1,3]thiazol-2-yl)propan-2-amine
CID 55222989
2-(4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[d][1,3]thiazol-2-yl)butan-2-amine
CID 63526067
N-[2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-4-methylpentan-2-yl]cyclopropanamine
CID 61334100
N,3-dimethyl-2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)pentan-2-amine
CID 61332609
N-[5-methyl-2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)hexan-2-yl]cyclopropanamine
CID 61334892
5-methyl-N-propyl-2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)hexan-2-amine
CID 63405307
2-methyl-N-propyl-3-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)pentan-3-amine
CID 61333814
1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)ethanamine
CID 4311279
3-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-2-methyl-N-propylpentan-3-amine
CID 61334992
2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)octan-2-amine
CID 61330299
2-propan-2-yl-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole;2-propan-2-yl-4,5,6,7-tetrahydro-1,3-benzothiazole;2-propan-2-yl-5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazole
CID 167624671
1-(4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[d][1,3]thiazol-2-yl)-N-methylethanamine
CID 5152860

Frequently Asked Questions

What is the IUPAC name of 2,6-dimethyl-4-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)heptan-4-amine?
The IUPAC name of 2,6-dimethyl-4-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)heptan-4-amine (CID 114868544) is 2,6-dimethyl-4-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)heptan-4-amine.
What is the SMILES notation for 2,6-dimethyl-4-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)heptan-4-amine?
The canonical SMILES for 2,6-dimethyl-4-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)heptan-4-amine is CC(C)CC(N)(CC(C)C)c1nc2c(s1)CCCC2.
What is the InChIKey of 2,6-dimethyl-4-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)heptan-4-amine?
The InChIKey is AIHWZULUJXDUMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2S/c1-11(2)9-16(17,10-12(3)4)15-18-13-7-5-6-8-14(13)19-15/h11-12H,5-10,17H2,1-4H3.
What are the key properties of 2,6-dimethyl-4-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)heptan-4-amine?
2,6-dimethyl-4-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)heptan-4-amine has a molecular weight of 280.48 g/mol, XLogP of 4.27, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethyl-4-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)heptan-4-amine is sourced from PubChem (CID 114868544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).