6-ethyl-N-propan-2-yl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-amine

C12H20N2S — CID 62942724

IUPAC6-ethyl-N-propan-2-yl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-amine
SMILESCCC1CCc2nc(NC(C)C)sc2C1
InChIInChI=1S/C12H20N2S/c1-4-9-5-6-10-11(7-9)15-12(14-10)13-8(2)3/h8-9H,4-7H2,1-3H3,(H,13,14)
InChIKeyNAKSVYVLRNBBLV-UHFFFAOYSA-N
MW224.37 g/mol
LogP3.48
Rot. Bonds3

About 6-ethyl-N-propan-2-yl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-amine

6-ethyl-N-propan-2-yl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-amine (PubChem CID 62942724) has the molecular formula C12H20N2S and a molecular weight of 224.37 g/mol. Its IUPAC name is 6-ethyl-N-propan-2-yl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-amine.

Molecular Properties

Compound Name6-ethyl-N-propan-2-yl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-amine
PubChem CID62942724
Molecular FormulaC12H20N2S
Molecular Weight224.37 g/mol
Exact Mass224.13
IUPAC Name6-ethyl-N-propan-2-yl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-amine
SMILESCCC1CCc2nc(NC(C)C)sc2C1
InChIInChI=1S/C12H20N2S/c1-4-9-5-6-10-11(7-9)15-12(14-10)13-8(2)3/h8-9H,4-7H2,1-3H3,(H,13,14)
InChIKeyNAKSVYVLRNBBLV-UHFFFAOYSA-N
XLogP3.48
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.37
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N,6-di(propan-2-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-2-amine
CID 62943486
(2S)-N-[(6S)-6-ethyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]-2-methylsulfonylpropanamide
CID 94112837
N-(6-ethyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-1-(2-methylpropanoyl)pyrrolidine-2-carboxamide
CID 154834730
(2S)-2-amino-N-(6-ethyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-3,3-dimethylbutanamide
CID 119713639
N-methyl-6-propyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-amine
CID 62941430
2-amino-N-(6-ethyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-2-(oxan-4-yl)acetamide
CID 120786534
6-ethyl-4,5,6,7-tetrahydro-1,3-benzothiazole-2-carbaldehyde
CID 62927739
2-(6-ethyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-N-methylethanamine
CID 62542565
1-(6-ethyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)butan-1-amine
CID 61338018
N-(6-ethyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-2-(2-methoxyethylamino)acetamide;hydrochloride
CID 119713660
2-(aminomethyl)-N-(6-ethyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-1,3-thiazole-4-carboxamide
CID 119713649
N-[(6R)-6-ethyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]-4-morpholin-4-yl-4-oxobutanamide
CID 94666300

Frequently Asked Questions

What is the IUPAC name of 6-ethyl-N-propan-2-yl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-amine?
The IUPAC name of 6-ethyl-N-propan-2-yl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-amine (CID 62942724) is 6-ethyl-N-propan-2-yl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-amine.
What is the SMILES notation for 6-ethyl-N-propan-2-yl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-amine?
The canonical SMILES for 6-ethyl-N-propan-2-yl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-amine is CCC1CCc2nc(NC(C)C)sc2C1.
What is the InChIKey of 6-ethyl-N-propan-2-yl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-amine?
The InChIKey is NAKSVYVLRNBBLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2S/c1-4-9-5-6-10-11(7-9)15-12(14-10)13-8(2)3/h8-9H,4-7H2,1-3H3,(H,13,14).
What are the key properties of 6-ethyl-N-propan-2-yl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-amine?
6-ethyl-N-propan-2-yl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-amine has a molecular weight of 224.37 g/mol, XLogP of 3.48, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-N-propan-2-yl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-amine is sourced from PubChem (CID 62942724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).