N-(4-chloro-1,3-benzothiazol-2-yl)-N-(3-morpholin-4-ylpropyl)butanamide

C18H24ClN3O2S — CID 7615564

IUPACN-(4-chloro-1,3-benzothiazol-2-yl)-N-(3-morpholin-4-ylpropyl)butanamide
SMILESCCCC(=O)N(CCCN1CCOCC1)c1nc2c(Cl)cccc2s1
InChIInChI=1S/C18H24ClN3O2S/c1-2-5-16(23)22(9-4-8-21-10-12-24-13-11-21)18-20-17-14(19)6-3-7-15(17)25-18/h3,6-7H,2,4-5,8-13H2,1H3
InChIKeyKDIVIHRGVVJPEJ-UHFFFAOYSA-N
MW381.93 g/mol
LogP3.81
Rot. Bonds7

About N-(4-chloro-1,3-benzothiazol-2-yl)-N-(3-morpholin-4-ylpropyl)butanamide

N-(4-chloro-1,3-benzothiazol-2-yl)-N-(3-morpholin-4-ylpropyl)butanamide (PubChem CID 7615564) has the molecular formula C18H24ClN3O2S and a molecular weight of 381.93 g/mol. Its IUPAC name is N-(4-chloro-1,3-benzothiazol-2-yl)-N-(3-morpholin-4-ylpropyl)butanamide.

Molecular Properties

Compound NameN-(4-chloro-1,3-benzothiazol-2-yl)-N-(3-morpholin-4-ylpropyl)butanamide
PubChem CID7615564
Molecular FormulaC18H24ClN3O2S
Molecular Weight381.93 g/mol
Exact Mass381.13
IUPAC NameN-(4-chloro-1,3-benzothiazol-2-yl)-N-(3-morpholin-4-ylpropyl)butanamide
SMILESCCCC(=O)N(CCCN1CCOCC1)c1nc2c(Cl)cccc2s1
InChIInChI=1S/C18H24ClN3O2S/c1-2-5-16(23)22(9-4-8-21-10-12-24-13-11-21)18-20-17-14(19)6-3-7-15(17)25-18/h3,6-7H,2,4-5,8-13H2,1H3
InChIKeyKDIVIHRGVVJPEJ-UHFFFAOYSA-N
XLogP3.81
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.93
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-1,3-benzothiazol-2-yl)-N-(3-morpholin-4-ylpropyl)butanamide?
The IUPAC name of N-(4-chloro-1,3-benzothiazol-2-yl)-N-(3-morpholin-4-ylpropyl)butanamide (CID 7615564) is N-(4-chloro-1,3-benzothiazol-2-yl)-N-(3-morpholin-4-ylpropyl)butanamide.
What is the SMILES notation for N-(4-chloro-1,3-benzothiazol-2-yl)-N-(3-morpholin-4-ylpropyl)butanamide?
The canonical SMILES for N-(4-chloro-1,3-benzothiazol-2-yl)-N-(3-morpholin-4-ylpropyl)butanamide is CCCC(=O)N(CCCN1CCOCC1)c1nc2c(Cl)cccc2s1.
What is the InChIKey of N-(4-chloro-1,3-benzothiazol-2-yl)-N-(3-morpholin-4-ylpropyl)butanamide?
The InChIKey is KDIVIHRGVVJPEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24ClN3O2S/c1-2-5-16(23)22(9-4-8-21-10-12-24-13-11-21)18-20-17-14(19)6-3-7-15(17)25-18/h3,6-7H,2,4-5,8-13H2,1H3.
What are the key properties of N-(4-chloro-1,3-benzothiazol-2-yl)-N-(3-morpholin-4-ylpropyl)butanamide?
N-(4-chloro-1,3-benzothiazol-2-yl)-N-(3-morpholin-4-ylpropyl)butanamide has a molecular weight of 381.93 g/mol, XLogP of 3.81, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-1,3-benzothiazol-2-yl)-N-(3-morpholin-4-ylpropyl)butanamide is sourced from PubChem (CID 7615564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).