N-ethyl-2-(oxolan-2-ylmethyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-4-amine

C14H22N2OS — CID 64976228

IUPACN-ethyl-2-(oxolan-2-ylmethyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-4-amine
SMILESCCNC1CCCc2sc(CC3CCCO3)nc21
InChIInChI=1S/C14H22N2OS/c1-2-15-11-6-3-7-12-14(11)16-13(18-12)9-10-5-4-8-17-10/h10-11,15H,2-9H2,1H3
InChIKeyZUXIQJXNBKIDKH-UHFFFAOYSA-N
MW266.41 g/mol
LogP2.85
Rot. Bonds4

About N-ethyl-2-(oxolan-2-ylmethyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-4-amine

N-ethyl-2-(oxolan-2-ylmethyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-4-amine (PubChem CID 64976228) has the molecular formula C14H22N2OS and a molecular weight of 266.41 g/mol. Its IUPAC name is N-ethyl-2-(oxolan-2-ylmethyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-4-amine.

Molecular Properties

Compound NameN-ethyl-2-(oxolan-2-ylmethyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-4-amine
PubChem CID64976228
Molecular FormulaC14H22N2OS
Molecular Weight266.41 g/mol
Exact Mass266.15
IUPAC NameN-ethyl-2-(oxolan-2-ylmethyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-4-amine
SMILESCCNC1CCCc2sc(CC3CCCO3)nc21
InChIInChI=1S/C14H22N2OS/c1-2-15-11-6-3-7-12-14(11)16-13(18-12)9-10-5-4-8-17-10/h10-11,15H,2-9H2,1H3
InChIKeyZUXIQJXNBKIDKH-UHFFFAOYSA-N
XLogP2.85
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.41
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(oxolan-2-ylmethyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-4-ol
CID 64976472
N-ethyl-2-(2-phenylethyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-4-amine
CID 64976180
N-ethyl-2-(2-ethylmorpholin-4-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-4-amine
CID 64976775
2-tert-butyl-N-ethyl-4,5,6,7-tetrahydro-1,3-benzothiazol-4-amine
CID 64976182
N-ethyl-2-[(4-methylphenyl)sulfanylmethyl]-4,5,6,7-tetrahydro-1,3-benzothiazol-4-amine
CID 66065617
2-[(4-bromophenyl)sulfanylmethyl]-N-ethyl-4,5,6,7-tetrahydro-1,3-benzothiazol-4-amine
CID 66056909
N-ethyl-2-(5-ethylthiophen-2-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-4-amine
CID 64976596
2-(2,2-dimethylmorpholin-4-yl)-N-ethyl-4,5,6,7-tetrahydro-1,3-benzothiazol-4-amine
CID 64977321
N-ethyl-2-(7-oxabicyclo[2.2.1]heptan-2-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-4-amine
CID 64976145
4-N-ethyl-2-N-methyl-2-N-(2-methylphenyl)-4,5,6,7-tetrahydro-1,3-benzothiazole-2,4-diamine
CID 64977109
N-propyl-2-(3,3,3-trifluoropropyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-4-amine
CID 79965102
2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl)-N-ethyl-4,5,6,7-tetrahydro-1,3-benzothiazol-4-amine
CID 79096383

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-(oxolan-2-ylmethyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-4-amine?
The IUPAC name of N-ethyl-2-(oxolan-2-ylmethyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-4-amine (CID 64976228) is N-ethyl-2-(oxolan-2-ylmethyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-4-amine.
What is the SMILES notation for N-ethyl-2-(oxolan-2-ylmethyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-4-amine?
The canonical SMILES for N-ethyl-2-(oxolan-2-ylmethyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-4-amine is CCNC1CCCc2sc(CC3CCCO3)nc21.
What is the InChIKey of N-ethyl-2-(oxolan-2-ylmethyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-4-amine?
The InChIKey is ZUXIQJXNBKIDKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2OS/c1-2-15-11-6-3-7-12-14(11)16-13(18-12)9-10-5-4-8-17-10/h10-11,15H,2-9H2,1H3.
What are the key properties of N-ethyl-2-(oxolan-2-ylmethyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-4-amine?
N-ethyl-2-(oxolan-2-ylmethyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-4-amine has a molecular weight of 266.41 g/mol, XLogP of 2.85, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-(oxolan-2-ylmethyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-4-amine is sourced from PubChem (CID 64976228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).