N-(3-methoxypropyl)-3-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)propanamide

C14H22N2O2S — CID 110388550

IUPACN-(3-methoxypropyl)-3-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)propanamide
SMILESCOCCCNC(=O)CCc1nc2c(s1)CCCC2
InChIInChI=1S/C14H22N2O2S/c1-18-10-4-9-15-13(17)7-8-14-16-11-5-2-3-6-12(11)19-14/h2-10H2,1H3,(H,15,17)
InChIKeyQTYWFBZOZCTLQW-UHFFFAOYSA-N
MW282.41 g/mol
LogP2.11
Rot. Bonds7

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

N-(3-methoxypropyl)-3-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)propanamide (PubChem CID 110388550) has the molecular formula C14H22N2O2S and a molecular weight of 282.41 g/mol. Its IUPAC name is N-(3-methoxypropyl)-3-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)propanamide.

Molecular Properties

Compound NameN-(3-methoxypropyl)-3-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)propanamide
PubChem CID110388550
Molecular FormulaC14H22N2O2S
Molecular Weight282.41 g/mol
Exact Mass282.14
IUPAC NameN-(3-methoxypropyl)-3-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)propanamide
SMILESCOCCCNC(=O)CCc1nc2c(s1)CCCC2
InChIInChI=1S/C14H22N2O2S/c1-18-10-4-9-15-13(17)7-8-14-16-11-5-2-3-6-12(11)19-14/h2-10H2,1H3,(H,15,17)
InChIKeyQTYWFBZOZCTLQW-UHFFFAOYSA-N
XLogP2.11
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.41
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(3-methoxypropyl)-3-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)propanamide?
The IUPAC name of N-(3-methoxypropyl)-3-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)propanamide (CID 110388550) is N-(3-methoxypropyl)-3-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)propanamide.
What is the SMILES notation for N-(3-methoxypropyl)-3-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)propanamide?
The canonical SMILES for N-(3-methoxypropyl)-3-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)propanamide is COCCCNC(=O)CCc1nc2c(s1)CCCC2.
What is the InChIKey of N-(3-methoxypropyl)-3-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)propanamide?
The InChIKey is QTYWFBZOZCTLQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2S/c1-18-10-4-9-15-13(17)7-8-14-16-11-5-2-3-6-12(11)19-14/h2-10H2,1H3,(H,15,17).
What are the key properties of N-(3-methoxypropyl)-3-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)propanamide?
N-(3-methoxypropyl)-3-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)propanamide has a molecular weight of 282.41 g/mol, XLogP of 2.11, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxypropyl)-3-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)propanamide is sourced from PubChem (CID 110388550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).