2-(1-ethoxycyclopentyl)-5,5-dimethyl-6,7-dihydro-4H-1,3-benzothiazol-7-amine

C16H26N2OS — CID 116774459

IUPAC2-(1-ethoxycyclopentyl)-5,5-dimethyl-6,7-dihydro-4H-1,3-benzothiazol-7-amine
SMILESCCOC1(c2nc3c(s2)C(N)CC(C)(C)C3)CCCC1
InChIInChI=1S/C16H26N2OS/c1-4-19-16(7-5-6-8-16)14-18-12-10-15(2,3)9-11(17)13(12)20-14/h11H,4-10,17H2,1-3H3
InChIKeySSUBHMVWYQSGJC-UHFFFAOYSA-N
MW294.46 g/mol
LogP3.92
Rot. Bonds3

About 2-(1-ethoxycyclopentyl)-5,5-dimethyl-6,7-dihydro-4H-1,3-benzothiazol-7-amine

2-(1-ethoxycyclopentyl)-5,5-dimethyl-6,7-dihydro-4H-1,3-benzothiazol-7-amine (PubChem CID 116774459) has the molecular formula C16H26N2OS and a molecular weight of 294.46 g/mol. Its IUPAC name is 2-(1-ethoxycyclopentyl)-5,5-dimethyl-6,7-dihydro-4H-1,3-benzothiazol-7-amine.

Molecular Properties

Compound Name2-(1-ethoxycyclopentyl)-5,5-dimethyl-6,7-dihydro-4H-1,3-benzothiazol-7-amine
PubChem CID116774459
Molecular FormulaC16H26N2OS
Molecular Weight294.46 g/mol
Exact Mass294.18
IUPAC Name2-(1-ethoxycyclopentyl)-5,5-dimethyl-6,7-dihydro-4H-1,3-benzothiazol-7-amine
SMILESCCOC1(c2nc3c(s2)C(N)CC(C)(C)C3)CCCC1
InChIInChI=1S/C16H26N2OS/c1-4-19-16(7-5-6-8-16)14-18-12-10-15(2,3)9-11(17)13(12)20-14/h11H,4-10,17H2,1-3H3
InChIKeySSUBHMVWYQSGJC-UHFFFAOYSA-N
XLogP3.92
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.46
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(1-ethoxycycloheptyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine
CID 116774406
2-(4-ethoxyoxan-4-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine
CID 116774418
2-N,2-N-diethyl-5,5-dimethyl-6,7-dihydro-4H-1,3-benzothiazole-2,7-diamine
CID 62750828
2,5,5-trimethyl-6,7-dihydro-4H-1,3-benzothiazol-7-amine
CID 62090954
2-(2-ethoxypropan-2-yl)-5,5-dimethyl-6,7-dihydro-4H-1,3-benzothiazol-7-amine
CID 116727694
2-N-cyclopentyl-2-N,5,5-trimethyl-6,7-dihydro-4H-1,3-benzothiazole-2,7-diamine
CID 62750837
5,5-dimethyl-2-phenyl-6,7-dihydro-4H-1,3-benzothiazol-7-amine
CID 62091138
2-[(dimethylamino)methyl]-5,5-dimethyl-6,7-dihydro-4H-1,3-benzothiazol-7-amine
CID 62089743
2-(4-ethyl-4-methylpiperidin-1-yl)-5,5-dimethyl-6,7-dihydro-4H-1,3-benzothiazol-7-amine
CID 63163137
2-N-ethyl-2-N-(2-ethylbutyl)-5,5-dimethyl-6,7-dihydro-4H-1,3-benzothiazole-2,7-diamine
CID 63513222
2-(3,5-dimethylphenyl)-5,5-dimethyl-6,7-dihydro-4H-1,3-benzothiazol-7-amine
CID 62091322
2-(1-methoxycyclohexyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine
CID 116774417

Frequently Asked Questions

What is the IUPAC name of 2-(1-ethoxycyclopentyl)-5,5-dimethyl-6,7-dihydro-4H-1,3-benzothiazol-7-amine?
The IUPAC name of 2-(1-ethoxycyclopentyl)-5,5-dimethyl-6,7-dihydro-4H-1,3-benzothiazol-7-amine (CID 116774459) is 2-(1-ethoxycyclopentyl)-5,5-dimethyl-6,7-dihydro-4H-1,3-benzothiazol-7-amine.
What is the SMILES notation for 2-(1-ethoxycyclopentyl)-5,5-dimethyl-6,7-dihydro-4H-1,3-benzothiazol-7-amine?
The canonical SMILES for 2-(1-ethoxycyclopentyl)-5,5-dimethyl-6,7-dihydro-4H-1,3-benzothiazol-7-amine is CCOC1(c2nc3c(s2)C(N)CC(C)(C)C3)CCCC1.
What is the InChIKey of 2-(1-ethoxycyclopentyl)-5,5-dimethyl-6,7-dihydro-4H-1,3-benzothiazol-7-amine?
The InChIKey is SSUBHMVWYQSGJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2OS/c1-4-19-16(7-5-6-8-16)14-18-12-10-15(2,3)9-11(17)13(12)20-14/h11H,4-10,17H2,1-3H3.
What are the key properties of 2-(1-ethoxycyclopentyl)-5,5-dimethyl-6,7-dihydro-4H-1,3-benzothiazol-7-amine?
2-(1-ethoxycyclopentyl)-5,5-dimethyl-6,7-dihydro-4H-1,3-benzothiazol-7-amine has a molecular weight of 294.46 g/mol, XLogP of 3.92, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-ethoxycyclopentyl)-5,5-dimethyl-6,7-dihydro-4H-1,3-benzothiazol-7-amine is sourced from PubChem (CID 116774459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).