2-(2-methyloxan-2-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-4-amine

C13H20N2OS — CID 80684802

IUPAC2-(2-methyloxan-2-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-4-amine
SMILESCC1(c2nc3c(s2)CCCC3N)CCCCO1
InChIInChI=1S/C13H20N2OS/c1-13(7-2-3-8-16-13)12-15-11-9(14)5-4-6-10(11)17-12/h9H,2-8,14H2,1H3
InChIKeyVJKQNLDHEDVJKK-UHFFFAOYSA-N
MW252.38 g/mol
LogP2.89
Rot. Bonds1

About 2-(2-methyloxan-2-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-4-amine

2-(2-methyloxan-2-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-4-amine (PubChem CID 80684802) has the molecular formula C13H20N2OS and a molecular weight of 252.38 g/mol. Its IUPAC name is 2-(2-methyloxan-2-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-4-amine.

Molecular Properties

Compound Name2-(2-methyloxan-2-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-4-amine
PubChem CID80684802
Molecular FormulaC13H20N2OS
Molecular Weight252.38 g/mol
Exact Mass252.13
IUPAC Name2-(2-methyloxan-2-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-4-amine
SMILESCC1(c2nc3c(s2)CCCC3N)CCCCO1
InChIInChI=1S/C13H20N2OS/c1-13(7-2-3-8-16-13)12-15-11-9(14)5-4-6-10(11)17-12/h9H,2-8,14H2,1H3
InChIKeyVJKQNLDHEDVJKK-UHFFFAOYSA-N
XLogP2.89
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.38
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(2-methyloxan-2-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-4-amine with MolForge

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Related Compounds

4-cyclopropyl-2-(2-methyloxan-2-yl)-1,3-thiazole-5-carboxylic acid
CID 114360216
2-cyclooctyl-4,5,6,7-tetrahydro-1,3-benzothiazol-4-amine
CID 80610124
N-[[4-cyclopropyl-2-(2-methyloxan-2-yl)-1,3-thiazol-5-yl]methyl]cyclopropanamine
CID 114367687
N-ethyl-2-(2-methyloxan-2-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine
CID 80683683
2-cyclobutyl-4,5,6,7-tetrahydro-1,3-benzothiazol-4-amine
CID 64984478
[5-(2-methyloxan-2-yl)-1,3,4-thiadiazol-2-yl]methanamine
CID 115028471
2-(2-methylcyclopropyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-4-amine
CID 65420210
2-(4-methylcyclohexyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-4-amine
CID 64975497
2-N-(3,3-dimethylbutan-2-yl)-2-N-methyl-4,5,6,7-tetrahydro-1,3-benzothiazole-2,4-diamine
CID 64977289
2-(oxolan-3-ylmethyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-4-amine
CID 103987709
2-(5-methylthiophen-2-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-4-amine
CID 64976032
2-(3,5-dichlorophenyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-4-amine
CID 64975981

Frequently Asked Questions

What is the IUPAC name of 2-(2-methyloxan-2-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-4-amine?
The IUPAC name of 2-(2-methyloxan-2-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-4-amine (CID 80684802) is 2-(2-methyloxan-2-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-4-amine.
What is the SMILES notation for 2-(2-methyloxan-2-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-4-amine?
The canonical SMILES for 2-(2-methyloxan-2-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-4-amine is CC1(c2nc3c(s2)CCCC3N)CCCCO1.
What is the InChIKey of 2-(2-methyloxan-2-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-4-amine?
The InChIKey is VJKQNLDHEDVJKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2OS/c1-13(7-2-3-8-16-13)12-15-11-9(14)5-4-6-10(11)17-12/h9H,2-8,14H2,1H3.
What are the key properties of 2-(2-methyloxan-2-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-4-amine?
2-(2-methyloxan-2-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-4-amine has a molecular weight of 252.38 g/mol, XLogP of 2.89, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methyloxan-2-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-4-amine is sourced from PubChem (CID 80684802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).