2-(2-methoxypropyl)-N-propyl-4,5,6,7-tetrahydro-1,3-benzothiazol-4-amine

C14H24N2OS — CID 113391642

IUPAC2-(2-methoxypropyl)-N-propyl-4,5,6,7-tetrahydro-1,3-benzothiazol-4-amine
SMILESCCCNC1CCCc2sc(CC(C)OC)nc21
InChIInChI=1S/C14H24N2OS/c1-4-8-15-11-6-5-7-12-14(11)16-13(18-12)9-10(2)17-3/h10-11,15H,4-9H2,1-3H3
InChIKeyCKTZANVDCYZGBO-UHFFFAOYSA-N
MW268.43 g/mol
LogP3.10
Rot. Bonds6

About 2-(2-methoxypropyl)-N-propyl-4,5,6,7-tetrahydro-1,3-benzothiazol-4-amine

2-(2-methoxypropyl)-N-propyl-4,5,6,7-tetrahydro-1,3-benzothiazol-4-amine (PubChem CID 113391642) has the molecular formula C14H24N2OS and a molecular weight of 268.43 g/mol. Its IUPAC name is 2-(2-methoxypropyl)-N-propyl-4,5,6,7-tetrahydro-1,3-benzothiazol-4-amine.

Molecular Properties

Compound Name2-(2-methoxypropyl)-N-propyl-4,5,6,7-tetrahydro-1,3-benzothiazol-4-amine
PubChem CID113391642
Molecular FormulaC14H24N2OS
Molecular Weight268.43 g/mol
Exact Mass268.16
IUPAC Name2-(2-methoxypropyl)-N-propyl-4,5,6,7-tetrahydro-1,3-benzothiazol-4-amine
SMILESCCCNC1CCCc2sc(CC(C)OC)nc21
InChIInChI=1S/C14H24N2OS/c1-4-8-15-11-6-5-7-12-14(11)16-13(18-12)9-10(2)17-3/h10-11,15H,4-9H2,1-3H3
InChIKeyCKTZANVDCYZGBO-UHFFFAOYSA-N
XLogP3.10
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.43
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxypropyl)-N-propyl-4,5,6,7-tetrahydro-1,3-benzothiazol-4-amine?
The IUPAC name of 2-(2-methoxypropyl)-N-propyl-4,5,6,7-tetrahydro-1,3-benzothiazol-4-amine (CID 113391642) is 2-(2-methoxypropyl)-N-propyl-4,5,6,7-tetrahydro-1,3-benzothiazol-4-amine.
What is the SMILES notation for 2-(2-methoxypropyl)-N-propyl-4,5,6,7-tetrahydro-1,3-benzothiazol-4-amine?
The canonical SMILES for 2-(2-methoxypropyl)-N-propyl-4,5,6,7-tetrahydro-1,3-benzothiazol-4-amine is CCCNC1CCCc2sc(CC(C)OC)nc21.
What is the InChIKey of 2-(2-methoxypropyl)-N-propyl-4,5,6,7-tetrahydro-1,3-benzothiazol-4-amine?
The InChIKey is CKTZANVDCYZGBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2OS/c1-4-8-15-11-6-5-7-12-14(11)16-13(18-12)9-10(2)17-3/h10-11,15H,4-9H2,1-3H3.
What are the key properties of 2-(2-methoxypropyl)-N-propyl-4,5,6,7-tetrahydro-1,3-benzothiazol-4-amine?
2-(2-methoxypropyl)-N-propyl-4,5,6,7-tetrahydro-1,3-benzothiazol-4-amine has a molecular weight of 268.43 g/mol, XLogP of 3.10, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxypropyl)-N-propyl-4,5,6,7-tetrahydro-1,3-benzothiazol-4-amine is sourced from PubChem (CID 113391642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).