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

C14H24N2OS — CID 116727694

IUPAC2-(2-ethoxypropan-2-yl)-5,5-dimethyl-6,7-dihydro-4H-1,3-benzothiazol-7-amine
SMILESCCOC(C)(C)c1nc2c(s1)C(N)CC(C)(C)C2
InChIInChI=1S/C14H24N2OS/c1-6-17-14(4,5)12-16-10-8-13(2,3)7-9(15)11(10)18-12/h9H,6-8,15H2,1-5H3
InChIKeyHAOKEFBXRXXPTD-UHFFFAOYSA-N
MW268.43 g/mol
LogP3.39
Rot. Bonds3

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

2-(2-ethoxypropan-2-yl)-5,5-dimethyl-6,7-dihydro-4H-1,3-benzothiazol-7-amine (PubChem CID 116727694) has the molecular formula C14H24N2OS and a molecular weight of 268.43 g/mol. Its IUPAC name is 2-(2-ethoxypropan-2-yl)-5,5-dimethyl-6,7-dihydro-4H-1,3-benzothiazol-7-amine.

Molecular Properties

Compound Name2-(2-ethoxypropan-2-yl)-5,5-dimethyl-6,7-dihydro-4H-1,3-benzothiazol-7-amine
PubChem CID116727694
Molecular FormulaC14H24N2OS
Molecular Weight268.43 g/mol
Exact Mass268.16
IUPAC Name2-(2-ethoxypropan-2-yl)-5,5-dimethyl-6,7-dihydro-4H-1,3-benzothiazol-7-amine
SMILESCCOC(C)(C)c1nc2c(s1)C(N)CC(C)(C)C2
InChIInChI=1S/C14H24N2OS/c1-6-17-14(4,5)12-16-10-8-13(2,3)7-9(15)11(10)18-12/h9H,6-8,15H2,1-5H3
InChIKeyHAOKEFBXRXXPTD-UHFFFAOYSA-N
XLogP3.39
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.43
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2,5,5-trimethyl-6,7-dihydro-4H-1,3-benzothiazol-7-amine
CID 62090954
2-(2-ethoxypropan-2-yl)-5,5-dimethyl-4,6-dihydro-1,3-benzothiazol-7-one
CID 116727497
2-(1-ethoxycyclopentyl)-5,5-dimethyl-6,7-dihydro-4H-1,3-benzothiazol-7-amine
CID 116774459
2-N,2-N-diethyl-5,5-dimethyl-6,7-dihydro-4H-1,3-benzothiazole-2,7-diamine
CID 62750828
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-(butan-2-ylsulfanylmethyl)-5,5-dimethyl-6,7-dihydro-4H-1,3-benzothiazol-7-amine
CID 65141538
2-(2-ethoxypropan-2-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-ol
CID 116728218
2-(2-methoxypropyl)-5,5-dimethyl-6,7-dihydro-4H-1,3-benzothiazol-7-amine
CID 113391638
2-(3-ethyl-1,4-dithian-2-yl)-5,5-dimethyl-6,7-dihydro-4H-1,3-benzothiazol-7-amine
CID 115388342
2-(4-ethyl-4-methylpiperidin-1-yl)-5,5-dimethyl-6,7-dihydro-4H-1,3-benzothiazol-7-amine
CID 63163137
2-(3-methoxypentan-3-yl)-N,5,5-trimethyl-6,7-dihydro-4H-1,3-benzothiazol-7-amine
CID 116774476

Frequently Asked Questions

What is the IUPAC name of 2-(2-ethoxypropan-2-yl)-5,5-dimethyl-6,7-dihydro-4H-1,3-benzothiazol-7-amine?
The IUPAC name of 2-(2-ethoxypropan-2-yl)-5,5-dimethyl-6,7-dihydro-4H-1,3-benzothiazol-7-amine (CID 116727694) is 2-(2-ethoxypropan-2-yl)-5,5-dimethyl-6,7-dihydro-4H-1,3-benzothiazol-7-amine.
What is the SMILES notation for 2-(2-ethoxypropan-2-yl)-5,5-dimethyl-6,7-dihydro-4H-1,3-benzothiazol-7-amine?
The canonical SMILES for 2-(2-ethoxypropan-2-yl)-5,5-dimethyl-6,7-dihydro-4H-1,3-benzothiazol-7-amine is CCOC(C)(C)c1nc2c(s1)C(N)CC(C)(C)C2.
What is the InChIKey of 2-(2-ethoxypropan-2-yl)-5,5-dimethyl-6,7-dihydro-4H-1,3-benzothiazol-7-amine?
The InChIKey is HAOKEFBXRXXPTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2OS/c1-6-17-14(4,5)12-16-10-8-13(2,3)7-9(15)11(10)18-12/h9H,6-8,15H2,1-5H3.
What are the key properties of 2-(2-ethoxypropan-2-yl)-5,5-dimethyl-6,7-dihydro-4H-1,3-benzothiazol-7-amine?
2-(2-ethoxypropan-2-yl)-5,5-dimethyl-6,7-dihydro-4H-1,3-benzothiazol-7-amine has a molecular weight of 268.43 g/mol, XLogP of 3.39, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethoxypropan-2-yl)-5,5-dimethyl-6,7-dihydro-4H-1,3-benzothiazol-7-amine is sourced from PubChem (CID 116727694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).