N-[2-(5-chloro-1,3-benzothiazol-2-yl)ethyl]-2-(methylamino)acetamide;hydrochloride

C12H15Cl2N3OS — CID 119698358

IUPACN-[2-(5-chloro-1,3-benzothiazol-2-yl)ethyl]-2-(methylamino)acetamide;hydrochloride
SMILESCNCC(=O)NCCc1nc2cc(Cl)ccc2s1.Cl
InChIInChI=1S/C12H14ClN3OS.ClH/c1-14-7-11(17)15-5-4-12-16-9-6-8(13)2-3-10(9)18-12;/h2-3,6,14H,4-5,7H2,1H3,(H,15,17);1H
InChIKeyADIXOJGZGZKTCX-UHFFFAOYSA-N
MW320.25 g/mol
LogP2.25
Rot. Bonds5

About N-[2-(5-chloro-1,3-benzothiazol-2-yl)ethyl]-2-(methylamino)acetamide;hydrochloride

N-[2-(5-chloro-1,3-benzothiazol-2-yl)ethyl]-2-(methylamino)acetamide;hydrochloride (PubChem CID 119698358) has the molecular formula C12H15Cl2N3OS and a molecular weight of 320.25 g/mol. Its IUPAC name is N-[2-(5-chloro-1,3-benzothiazol-2-yl)ethyl]-2-(methylamino)acetamide;hydrochloride.

Molecular Properties

Compound NameN-[2-(5-chloro-1,3-benzothiazol-2-yl)ethyl]-2-(methylamino)acetamide;hydrochloride
PubChem CID119698358
Molecular FormulaC12H15Cl2N3OS
Molecular Weight320.25 g/mol
Exact Mass319.03
IUPAC NameN-[2-(5-chloro-1,3-benzothiazol-2-yl)ethyl]-2-(methylamino)acetamide;hydrochloride
SMILESCNCC(=O)NCCc1nc2cc(Cl)ccc2s1.Cl
InChIInChI=1S/C12H14ClN3OS.ClH/c1-14-7-11(17)15-5-4-12-16-9-6-8(13)2-3-10(9)18-12;/h2-3,6,14H,4-5,7H2,1H3,(H,15,17);1H
InChIKeyADIXOJGZGZKTCX-UHFFFAOYSA-N
XLogP2.25
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.25
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(5-chloro-1,3-benzothiazol-2-yl)ethyl]-4-(methylamino)butanamide
CID 119698347
N-[2-(5-chloro-1,3-benzothiazol-2-yl)ethyl]-2-(cyclopropylmethylamino)acetamide
CID 119698367
N-[2-(1,3-benzothiazol-2-yl)ethyl]-2-(methylamino)acetamide
CID 114996265
4-amino-N-[2-(5-chloro-1,3-benzothiazol-2-yl)ethyl]butanamide
CID 119275972
(2S)-2-amino-N-[2-(5-chloro-1,3-benzothiazol-2-yl)ethyl]-3,3-dimethylbutanamide;hydrochloride
CID 119698364
N-[2-(5-chloro-1,3-benzothiazol-2-yl)ethyl]-3-piperidin-4-ylbutanamide;hydrochloride
CID 119698372
3-[2-(5-chloro-1,3-benzothiazol-2-yl)ethylcarbamoyl-methylamino]-2-methylpropanoic acid
CID 122005961
N-[2-(5-chloro-1,3-benzothiazol-2-yl)ethyl]-4-methoxypiperidine-4-carboxamide
CID 119698375
3-amino-N-[2-(5-chloro-1,3-benzothiazol-2-yl)ethyl]cyclopentane-1-carboxamide
CID 119698351
1-[2-(5-chloro-1,3-benzothiazol-2-yl)ethyl]-2-(2-methylprop-2-enyl)guanidine
CID 119117832
methyl 2-(5-chloro-1,3-benzothiazol-2-yl)acetate
CID 79475132
2-[(5-chloro-1,3-benzothiazol-2-yl)amino]-N-ethylacetamide
CID 43566527

Frequently Asked Questions

What is the IUPAC name of N-[2-(5-chloro-1,3-benzothiazol-2-yl)ethyl]-2-(methylamino)acetamide;hydrochloride?
The IUPAC name of N-[2-(5-chloro-1,3-benzothiazol-2-yl)ethyl]-2-(methylamino)acetamide;hydrochloride (CID 119698358) is N-[2-(5-chloro-1,3-benzothiazol-2-yl)ethyl]-2-(methylamino)acetamide;hydrochloride.
What is the SMILES notation for N-[2-(5-chloro-1,3-benzothiazol-2-yl)ethyl]-2-(methylamino)acetamide;hydrochloride?
The canonical SMILES for N-[2-(5-chloro-1,3-benzothiazol-2-yl)ethyl]-2-(methylamino)acetamide;hydrochloride is CNCC(=O)NCCc1nc2cc(Cl)ccc2s1.Cl.
What is the InChIKey of N-[2-(5-chloro-1,3-benzothiazol-2-yl)ethyl]-2-(methylamino)acetamide;hydrochloride?
The InChIKey is ADIXOJGZGZKTCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClN3OS.ClH/c1-14-7-11(17)15-5-4-12-16-9-6-8(13)2-3-10(9)18-12;/h2-3,6,14H,4-5,7H2,1H3,(H,15,17);1H.
What are the key properties of N-[2-(5-chloro-1,3-benzothiazol-2-yl)ethyl]-2-(methylamino)acetamide;hydrochloride?
N-[2-(5-chloro-1,3-benzothiazol-2-yl)ethyl]-2-(methylamino)acetamide;hydrochloride has a molecular weight of 320.25 g/mol, XLogP of 2.25, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-chloro-1,3-benzothiazol-2-yl)ethyl]-2-(methylamino)acetamide;hydrochloride is sourced from PubChem (CID 119698358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).