N-(4-chloro-1,3-benzothiazol-2-yl)-N-[2-(diethylamino)ethyl]acetamide

C15H20ClN3OS — CID 7208479

IUPACN-(4-chloro-1,3-benzothiazol-2-yl)-N-[2-(diethylamino)ethyl]acetamide
SMILESCCN(CC)CCN(C(C)=O)c1nc2c(Cl)cccc2s1
InChIInChI=1S/C15H20ClN3OS/c1-4-18(5-2)9-10-19(11(3)20)15-17-14-12(16)7-6-8-13(14)21-15/h6-8H,4-5,9-10H2,1-3H3
InChIKeyFDTJIWWSDZYBFK-UHFFFAOYSA-N
MW325.87 g/mol
LogP3.64
Rot. Bonds6

About N-(4-chloro-1,3-benzothiazol-2-yl)-N-[2-(diethylamino)ethyl]acetamide

N-(4-chloro-1,3-benzothiazol-2-yl)-N-[2-(diethylamino)ethyl]acetamide (PubChem CID 7208479) has the molecular formula C15H20ClN3OS and a molecular weight of 325.87 g/mol. Its IUPAC name is N-(4-chloro-1,3-benzothiazol-2-yl)-N-[2-(diethylamino)ethyl]acetamide.

Molecular Properties

Compound NameN-(4-chloro-1,3-benzothiazol-2-yl)-N-[2-(diethylamino)ethyl]acetamide
PubChem CID7208479
Molecular FormulaC15H20ClN3OS
Molecular Weight325.87 g/mol
Exact Mass325.10
IUPAC NameN-(4-chloro-1,3-benzothiazol-2-yl)-N-[2-(diethylamino)ethyl]acetamide
SMILESCCN(CC)CCN(C(C)=O)c1nc2c(Cl)cccc2s1
InChIInChI=1S/C15H20ClN3OS/c1-4-18(5-2)9-10-19(11(3)20)15-17-14-12(16)7-6-8-13(14)21-15/h6-8H,4-5,9-10H2,1-3H3
InChIKeyFDTJIWWSDZYBFK-UHFFFAOYSA-N
XLogP3.64
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.87
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-1,3-benzothiazol-2-yl)-N-[2-(diethylamino)ethyl]acetamide?
The IUPAC name of N-(4-chloro-1,3-benzothiazol-2-yl)-N-[2-(diethylamino)ethyl]acetamide (CID 7208479) is N-(4-chloro-1,3-benzothiazol-2-yl)-N-[2-(diethylamino)ethyl]acetamide.
What is the SMILES notation for N-(4-chloro-1,3-benzothiazol-2-yl)-N-[2-(diethylamino)ethyl]acetamide?
The canonical SMILES for N-(4-chloro-1,3-benzothiazol-2-yl)-N-[2-(diethylamino)ethyl]acetamide is CCN(CC)CCN(C(C)=O)c1nc2c(Cl)cccc2s1.
What is the InChIKey of N-(4-chloro-1,3-benzothiazol-2-yl)-N-[2-(diethylamino)ethyl]acetamide?
The InChIKey is FDTJIWWSDZYBFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClN3OS/c1-4-18(5-2)9-10-19(11(3)20)15-17-14-12(16)7-6-8-13(14)21-15/h6-8H,4-5,9-10H2,1-3H3.
What are the key properties of N-(4-chloro-1,3-benzothiazol-2-yl)-N-[2-(diethylamino)ethyl]acetamide?
N-(4-chloro-1,3-benzothiazol-2-yl)-N-[2-(diethylamino)ethyl]acetamide has a molecular weight of 325.87 g/mol, XLogP of 3.64, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-1,3-benzothiazol-2-yl)-N-[2-(diethylamino)ethyl]acetamide is sourced from PubChem (CID 7208479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).