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

C15H24N2S3 — CID 115388342

IUPAC2-(3-ethyl-1,4-dithian-2-yl)-5,5-dimethyl-6,7-dihydro-4H-1,3-benzothiazol-7-amine
SMILESCCC1SCCSC1c1nc2c(s1)C(N)CC(C)(C)C2
InChIInChI=1S/C15H24N2S3/c1-4-11-13(19-6-5-18-11)14-17-10-8-15(2,3)7-9(16)12(10)20-14/h9,11,13H,4-8,16H2,1-3H3
InChIKeyLEUJWXMMSQCBJZ-UHFFFAOYSA-N
MW328.57 g/mol
LogP4.41
Rot. Bonds2

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

2-(3-ethyl-1,4-dithian-2-yl)-5,5-dimethyl-6,7-dihydro-4H-1,3-benzothiazol-7-amine (PubChem CID 115388342) has the molecular formula C15H24N2S3 and a molecular weight of 328.57 g/mol. Its IUPAC name is 2-(3-ethyl-1,4-dithian-2-yl)-5,5-dimethyl-6,7-dihydro-4H-1,3-benzothiazol-7-amine.

Molecular Properties

Compound Name2-(3-ethyl-1,4-dithian-2-yl)-5,5-dimethyl-6,7-dihydro-4H-1,3-benzothiazol-7-amine
PubChem CID115388342
Molecular FormulaC15H24N2S3
Molecular Weight328.57 g/mol
Exact Mass328.11
IUPAC Name2-(3-ethyl-1,4-dithian-2-yl)-5,5-dimethyl-6,7-dihydro-4H-1,3-benzothiazol-7-amine
SMILESCCC1SCCSC1c1nc2c(s1)C(N)CC(C)(C)C2
InChIInChI=1S/C15H24N2S3/c1-4-11-13(19-6-5-18-11)14-17-10-8-15(2,3)7-9(16)12(10)20-14/h9,11,13H,4-8,16H2,1-3H3
InChIKeyLEUJWXMMSQCBJZ-UHFFFAOYSA-N
XLogP4.41
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.57
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-(3-ethyl-1,4-dithian-2-yl)-5,5-dimethyl-6,7-dihydro-4H-1,3-benzothiazol-7-amine with MolForge

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Related Compounds

2-(3-ethyl-1,4-dithian-2-yl)-N,5,5-trimethyl-6,7-dihydro-4H-1,3-benzothiazol-7-amine
CID 115388344
2,5,5-trimethyl-6,7-dihydro-4H-1,3-benzothiazol-7-amine
CID 62090954
5,5-dimethyl-2-(oxolan-2-yl)-6,7-dihydro-4H-1,3-benzothiazol-7-amine
CID 65328879
2-N,2-N-diethyl-5,5-dimethyl-6,7-dihydro-4H-1,3-benzothiazole-2,7-diamine
CID 62750828
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-(3-ethyl-1,4-dithian-2-yl)-N-propyl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine
CID 115388340
2-(2-ethoxypropan-2-yl)-5,5-dimethyl-6,7-dihydro-4H-1,3-benzothiazol-7-amine
CID 116727694
2-(2-methoxypropyl)-5,5-dimethyl-6,7-dihydro-4H-1,3-benzothiazol-7-amine
CID 113391638
2-(1-ethoxycyclopentyl)-5,5-dimethyl-6,7-dihydro-4H-1,3-benzothiazol-7-amine
CID 116774459
5,5-dimethyl-2-phenyl-6,7-dihydro-4H-1,3-benzothiazol-7-amine
CID 62091138
5,5-dimethyl-2-(4-propan-2-ylmorpholin-2-yl)-6,7-dihydro-4H-1,3-benzothiazol-7-amine
CID 79663127

Frequently Asked Questions

What is the IUPAC name of 2-(3-ethyl-1,4-dithian-2-yl)-5,5-dimethyl-6,7-dihydro-4H-1,3-benzothiazol-7-amine?
The IUPAC name of 2-(3-ethyl-1,4-dithian-2-yl)-5,5-dimethyl-6,7-dihydro-4H-1,3-benzothiazol-7-amine (CID 115388342) is 2-(3-ethyl-1,4-dithian-2-yl)-5,5-dimethyl-6,7-dihydro-4H-1,3-benzothiazol-7-amine.
What is the SMILES notation for 2-(3-ethyl-1,4-dithian-2-yl)-5,5-dimethyl-6,7-dihydro-4H-1,3-benzothiazol-7-amine?
The canonical SMILES for 2-(3-ethyl-1,4-dithian-2-yl)-5,5-dimethyl-6,7-dihydro-4H-1,3-benzothiazol-7-amine is CCC1SCCSC1c1nc2c(s1)C(N)CC(C)(C)C2.
What is the InChIKey of 2-(3-ethyl-1,4-dithian-2-yl)-5,5-dimethyl-6,7-dihydro-4H-1,3-benzothiazol-7-amine?
The InChIKey is LEUJWXMMSQCBJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2S3/c1-4-11-13(19-6-5-18-11)14-17-10-8-15(2,3)7-9(16)12(10)20-14/h9,11,13H,4-8,16H2,1-3H3.
What are the key properties of 2-(3-ethyl-1,4-dithian-2-yl)-5,5-dimethyl-6,7-dihydro-4H-1,3-benzothiazol-7-amine?
2-(3-ethyl-1,4-dithian-2-yl)-5,5-dimethyl-6,7-dihydro-4H-1,3-benzothiazol-7-amine has a molecular weight of 328.57 g/mol, XLogP of 4.41, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-ethyl-1,4-dithian-2-yl)-5,5-dimethyl-6,7-dihydro-4H-1,3-benzothiazol-7-amine is sourced from PubChem (CID 115388342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).