2-[2-(dimethylamino)ethyl]-N,5,5-trimethyl-6,7-dihydro-4H-1,3-benzothiazol-7-amine

C14H25N3S — CID 115346941

IUPAC2-[2-(dimethylamino)ethyl]-N,5,5-trimethyl-6,7-dihydro-4H-1,3-benzothiazol-7-amine
SMILESCNC1CC(C)(C)Cc2nc(CCN(C)C)sc21
InChIInChI=1S/C14H25N3S/c1-14(2)8-10(15-3)13-11(9-14)16-12(18-13)6-7-17(4)5/h10,15H,6-9H2,1-5H3
InChIKeyVJEPEFJQGMVPJR-UHFFFAOYSA-N
MW267.44 g/mol
LogP2.48
Rot. Bonds4

About 2-[2-(dimethylamino)ethyl]-N,5,5-trimethyl-6,7-dihydro-4H-1,3-benzothiazol-7-amine

2-[2-(dimethylamino)ethyl]-N,5,5-trimethyl-6,7-dihydro-4H-1,3-benzothiazol-7-amine (PubChem CID 115346941) has the molecular formula C14H25N3S and a molecular weight of 267.44 g/mol. Its IUPAC name is 2-[2-(dimethylamino)ethyl]-N,5,5-trimethyl-6,7-dihydro-4H-1,3-benzothiazol-7-amine.

Molecular Properties

Compound Name2-[2-(dimethylamino)ethyl]-N,5,5-trimethyl-6,7-dihydro-4H-1,3-benzothiazol-7-amine
PubChem CID115346941
Molecular FormulaC14H25N3S
Molecular Weight267.44 g/mol
Exact Mass267.18
IUPAC Name2-[2-(dimethylamino)ethyl]-N,5,5-trimethyl-6,7-dihydro-4H-1,3-benzothiazol-7-amine
SMILESCNC1CC(C)(C)Cc2nc(CCN(C)C)sc21
InChIInChI=1S/C14H25N3S/c1-14(2)8-10(15-3)13-11(9-14)16-12(18-13)6-7-17(4)5/h10,15H,6-9H2,1-5H3
InChIKeyVJEPEFJQGMVPJR-UHFFFAOYSA-N
XLogP2.48
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.44
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N,5,5-trimethyl-2-(methylsulfanylmethyl)-6,7-dihydro-4H-1,3-benzothiazol-7-amine
CID 62693627
2-(cyclohexylsulfanylmethyl)-N,5,5-trimethyl-6,7-dihydro-4H-1,3-benzothiazol-7-amine
CID 65144649
2-[(2-bromophenyl)methyl]-N,5,5-trimethyl-6,7-dihydro-4H-1,3-benzothiazol-7-amine
CID 62830365
2-butyl-N-ethyl-5,5-dimethyl-6,7-dihydro-4H-1,3-benzothiazol-7-amine
CID 79411678
2-N-cyclopropyl-2-N-ethyl-7-N,5,5-trimethyl-6,7-dihydro-4H-1,3-benzothiazole-2,7-diamine
CID 62750758
2-(azepan-1-yl)-N,5,5-trimethyl-6,7-dihydro-4H-1,3-benzothiazol-7-amine
CID 62751071
N,5,5-trimethyl-2-thiophen-2-yl-6,7-dihydro-4H-1,3-benzothiazol-7-amine
CID 62089562
2-[2-(dimethylamino)ethyl]-5,5-dimethyl-4,6-dihydro-1,3-benzothiazol-7-one
CID 115346933
2-N-ethyl-2-N-(2-methoxyethyl)-7-N,5,5-trimethyl-6,7-dihydro-4H-1,3-benzothiazole-2,7-diamine
CID 62752906
2-N-butyl-2-N-cyclopropyl-7-N,5,5-trimethyl-6,7-dihydro-4H-1,3-benzothiazole-2,7-diamine
CID 62754951
N,5,5-trimethyl-2-(oxan-4-yl)-6,7-dihydro-4H-1,3-benzothiazol-7-amine
CID 62387018
2-(1-methoxyethyl)-N,5,5-trimethyl-6,7-dihydro-4H-1,3-benzothiazol-7-amine
CID 79616254

Frequently Asked Questions

What is the IUPAC name of 2-[2-(dimethylamino)ethyl]-N,5,5-trimethyl-6,7-dihydro-4H-1,3-benzothiazol-7-amine?
The IUPAC name of 2-[2-(dimethylamino)ethyl]-N,5,5-trimethyl-6,7-dihydro-4H-1,3-benzothiazol-7-amine (CID 115346941) is 2-[2-(dimethylamino)ethyl]-N,5,5-trimethyl-6,7-dihydro-4H-1,3-benzothiazol-7-amine.
What is the SMILES notation for 2-[2-(dimethylamino)ethyl]-N,5,5-trimethyl-6,7-dihydro-4H-1,3-benzothiazol-7-amine?
The canonical SMILES for 2-[2-(dimethylamino)ethyl]-N,5,5-trimethyl-6,7-dihydro-4H-1,3-benzothiazol-7-amine is CNC1CC(C)(C)Cc2nc(CCN(C)C)sc21.
What is the InChIKey of 2-[2-(dimethylamino)ethyl]-N,5,5-trimethyl-6,7-dihydro-4H-1,3-benzothiazol-7-amine?
The InChIKey is VJEPEFJQGMVPJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3S/c1-14(2)8-10(15-3)13-11(9-14)16-12(18-13)6-7-17(4)5/h10,15H,6-9H2,1-5H3.
What are the key properties of 2-[2-(dimethylamino)ethyl]-N,5,5-trimethyl-6,7-dihydro-4H-1,3-benzothiazol-7-amine?
2-[2-(dimethylamino)ethyl]-N,5,5-trimethyl-6,7-dihydro-4H-1,3-benzothiazol-7-amine has a molecular weight of 267.44 g/mol, XLogP of 2.48, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(dimethylamino)ethyl]-N,5,5-trimethyl-6,7-dihydro-4H-1,3-benzothiazol-7-amine is sourced from PubChem (CID 115346941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).