N-methyl-2-(oxan-4-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine

C13H20N2OS — CID 62386843

IUPACN-methyl-2-(oxan-4-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine
SMILESCNC1CCCc2nc(C3CCOCC3)sc21
InChIInChI=1S/C13H20N2OS/c1-14-10-3-2-4-11-12(10)17-13(15-11)9-5-7-16-8-6-9/h9-10,14H,2-8H2,1H3
InChIKeyFGSHGCZITMFJRU-UHFFFAOYSA-N
MW252.38 g/mol
LogP2.63
Rot. Bonds2

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

N-methyl-2-(oxan-4-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine (PubChem CID 62386843) has the molecular formula C13H20N2OS and a molecular weight of 252.38 g/mol. Its IUPAC name is N-methyl-2-(oxan-4-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine.

Molecular Properties

Compound NameN-methyl-2-(oxan-4-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine
PubChem CID62386843
Molecular FormulaC13H20N2OS
Molecular Weight252.38 g/mol
Exact Mass252.13
IUPAC NameN-methyl-2-(oxan-4-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine
SMILESCNC1CCCc2nc(C3CCOCC3)sc21
InChIInChI=1S/C13H20N2OS/c1-14-10-3-2-4-11-12(10)17-13(15-11)9-5-7-16-8-6-9/h9-10,14H,2-8H2,1H3
InChIKeyFGSHGCZITMFJRU-UHFFFAOYSA-N
XLogP2.63
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.38
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-2-(oxolan-3-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine
CID 62315083
N-methyl-2-(2-methylcyclopropyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine
CID 65422382
N,5,5-trimethyl-2-(oxan-4-yl)-6,7-dihydro-4H-1,3-benzothiazol-7-amine
CID 62387018
2-(3-ethylcyclopentyl)-N-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine
CID 65403634
N,2-dimethyl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine
CID 54444371
2-(3,4-dihydro-2H-chromen-4-yl)-N-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine
CID 65403635
2-(4-methoxyoxan-4-yl)-N-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine
CID 116774433
2-(3,3-dimethylbutyl)-N-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine
CID 114211917
2-N,7-N-dimethyl-2-N-(2-methylpropyl)-4,5,6,7-tetrahydro-1,3-benzothiazole-2,7-diamine
CID 62750253
N-methyl-2-(propylsulfanylmethyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine
CID 65128529
2-N,7-N-dimethyl-2-N-phenyl-4,5,6,7-tetrahydro-1,3-benzothiazole-2,7-diamine
CID 62751242
2-N-(3,3-dimethylbutan-2-yl)-2-N,7-N-dimethyl-4,5,6,7-tetrahydro-1,3-benzothiazole-2,7-diamine
CID 62754583

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-(oxan-4-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine?
The IUPAC name of N-methyl-2-(oxan-4-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine (CID 62386843) is N-methyl-2-(oxan-4-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine.
What is the SMILES notation for N-methyl-2-(oxan-4-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine?
The canonical SMILES for N-methyl-2-(oxan-4-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine is CNC1CCCc2nc(C3CCOCC3)sc21.
What is the InChIKey of N-methyl-2-(oxan-4-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine?
The InChIKey is FGSHGCZITMFJRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2OS/c1-14-10-3-2-4-11-12(10)17-13(15-11)9-5-7-16-8-6-9/h9-10,14H,2-8H2,1H3.
What are the key properties of N-methyl-2-(oxan-4-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine?
N-methyl-2-(oxan-4-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine has a molecular weight of 252.38 g/mol, XLogP of 2.63, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-(oxan-4-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine is sourced from PubChem (CID 62386843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).