4-(6-methyl-1,3-benzothiazol-2-yl)-N-propyloxolan-3-amine

C15H20N2OS — CID 79142872

IUPAC4-(6-methyl-1,3-benzothiazol-2-yl)-N-propyloxolan-3-amine
SMILESCCCNC1COCC1c1nc2ccc(C)cc2s1
InChIInChI=1S/C15H20N2OS/c1-3-6-16-13-9-18-8-11(13)15-17-12-5-4-10(2)7-14(12)19-15/h4-5,7,11,13,16H,3,6,8-9H2,1-2H3
InChIKeyFGYCBSJHRSGOAK-UHFFFAOYSA-N
MW276.40 g/mol
LogP3.09
Rot. Bonds4

About 4-(6-methyl-1,3-benzothiazol-2-yl)-N-propyloxolan-3-amine

4-(6-methyl-1,3-benzothiazol-2-yl)-N-propyloxolan-3-amine (PubChem CID 79142872) has the molecular formula C15H20N2OS and a molecular weight of 276.40 g/mol. Its IUPAC name is 4-(6-methyl-1,3-benzothiazol-2-yl)-N-propyloxolan-3-amine.

Molecular Properties

Compound Name4-(6-methyl-1,3-benzothiazol-2-yl)-N-propyloxolan-3-amine
PubChem CID79142872
Molecular FormulaC15H20N2OS
Molecular Weight276.40 g/mol
Exact Mass276.13
IUPAC Name4-(6-methyl-1,3-benzothiazol-2-yl)-N-propyloxolan-3-amine
SMILESCCCNC1COCC1c1nc2ccc(C)cc2s1
InChIInChI=1S/C15H20N2OS/c1-3-6-16-13-9-18-8-11(13)15-17-12-5-4-10(2)7-14(12)19-15/h4-5,7,11,13,16H,3,6,8-9H2,1-2H3
InChIKeyFGYCBSJHRSGOAK-UHFFFAOYSA-N
XLogP3.09
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.40
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(5-methyl-1,3-benzothiazol-2-yl)-N-propyloxolan-3-amine
CID 66253451
4-(5-chloro-1,3-benzothiazol-2-yl)-N-propyloxolan-3-amine
CID 66253450
4-(6-fluoro-1,3-benzothiazol-2-yl)-N-methyloxolan-3-amine
CID 79148773
4-[3-(4-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]-N-propyloxolan-3-amine
CID 66252106
4-(6-methoxy-1,3-benzoxazol-2-yl)-N-propyloxolan-3-amine
CID 102696585
2-(6-methyl-1,3-benzothiazol-2-yl)cyclopropane-1-carboxylic acid
CID 79142019
2-ethyl-6-methyl-1,3-benzothiazole
CID 22899424
6-methyl-N-pentyl-1,3-benzothiazol-2-amine
CID 79142327
N-[1-(6-methyl-1,3-benzothiazol-2-yl)ethyl]propan-1-amine
CID 79872914
4-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]-N-propyloxolan-3-amine
CID 66253070
4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-propyloxolan-3-amine
CID 66251331
6-methyl-N-(oxolan-3-yl)-1,3-benzothiazol-2-amine
CID 80713313

Frequently Asked Questions

What is the IUPAC name of 4-(6-methyl-1,3-benzothiazol-2-yl)-N-propyloxolan-3-amine?
The IUPAC name of 4-(6-methyl-1,3-benzothiazol-2-yl)-N-propyloxolan-3-amine (CID 79142872) is 4-(6-methyl-1,3-benzothiazol-2-yl)-N-propyloxolan-3-amine.
What is the SMILES notation for 4-(6-methyl-1,3-benzothiazol-2-yl)-N-propyloxolan-3-amine?
The canonical SMILES for 4-(6-methyl-1,3-benzothiazol-2-yl)-N-propyloxolan-3-amine is CCCNC1COCC1c1nc2ccc(C)cc2s1.
What is the InChIKey of 4-(6-methyl-1,3-benzothiazol-2-yl)-N-propyloxolan-3-amine?
The InChIKey is FGYCBSJHRSGOAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2OS/c1-3-6-16-13-9-18-8-11(13)15-17-12-5-4-10(2)7-14(12)19-15/h4-5,7,11,13,16H,3,6,8-9H2,1-2H3.
What are the key properties of 4-(6-methyl-1,3-benzothiazol-2-yl)-N-propyloxolan-3-amine?
4-(6-methyl-1,3-benzothiazol-2-yl)-N-propyloxolan-3-amine has a molecular weight of 276.40 g/mol, XLogP of 3.09, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-methyl-1,3-benzothiazol-2-yl)-N-propyloxolan-3-amine is sourced from PubChem (CID 79142872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).