2-(diethylamino)-N-(3-methyl-1,3-benzothiazol-2-ylidene)acetamide;hydrochloride

C14H20ClN3OS — CID 3053684

IUPAC2-(diethylamino)-N-(3-methyl-1,3-benzothiazol-2-ylidene)acetamide;hydrochloride
SMILESCCN(CC)CC(=O)/N=c1\sc2ccccc2n1C.Cl
InChIInChI=1S/C14H19N3OS.ClH/c1-4-17(5-2)10-13(18)15-14-16(3)11-8-6-7-9-12(11)19-14;/h6-9H,4-5,10H2,1-3H3;1H/b15-14-;
InChIKeyDONKIRJGMBKRSK-BGWNKZQTSA-N
MW313.85 g/mol
LogP2.43
Rot. Bonds4

About 2-(diethylamino)-N-(3-methyl-1,3-benzothiazol-2-ylidene)acetamide;hydrochloride

2-(diethylamino)-N-(3-methyl-1,3-benzothiazol-2-ylidene)acetamide;hydrochloride (PubChem CID 3053684) has the molecular formula C14H20ClN3OS and a molecular weight of 313.85 g/mol. Its IUPAC name is 2-(diethylamino)-N-(3-methyl-1,3-benzothiazol-2-ylidene)acetamide;hydrochloride.

Molecular Properties

Compound Name2-(diethylamino)-N-(3-methyl-1,3-benzothiazol-2-ylidene)acetamide;hydrochloride
PubChem CID3053684
Molecular FormulaC14H20ClN3OS
Molecular Weight313.85 g/mol
Exact Mass313.10
IUPAC Name2-(diethylamino)-N-(3-methyl-1,3-benzothiazol-2-ylidene)acetamide;hydrochloride
SMILESCCN(CC)CC(=O)/N=c1\sc2ccccc2n1C.Cl
InChIInChI=1S/C14H19N3OS.ClH/c1-4-17(5-2)10-13(18)15-14-16(3)11-8-6-7-9-12(11)19-14;/h6-9H,4-5,10H2,1-3H3;1H/b15-14-;
InChIKeyDONKIRJGMBKRSK-BGWNKZQTSA-N
XLogP2.43
TPSA37.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.85
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-(diethylamino)-N-(3-methyl-1,3-benzothiazol-2-ylidene)acetamide;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(Z)-N-(4-fluoro-3-methylbenzo[d]thiazol-2(3H)-ylidene)pivalamide
CID 2151125
2-methyl-2H-[1,2,4]triazino[3,4-b][1,3]benzothiazole-3,4-dione
CID 2816635
N-(3-phenyl-1,3-benzothiazol-2-ylidene)-2-propenamide
CID 830668
(E)-N-(3,6-dimethylbenzo[d]thiazol-2(3H)-ylidene)acetamide
CID 2312317
(Z)-N-(3-methylbenzo[d]thiazol-2(3H)-ylidene)-2-((2-oxo-2-(pyrrolidin-1-yl)ethyl)thio)acetamide
CID 3238397
S-[2-[(6-fluoro-3-methyl-1,3-benzothiazol-2-ylidene)amino]-2-oxoethyl] ethanethioate
CID 3245907
2-chloro-N-(3-methyl-1,3-benzothiazol-2-ylidene)acetamide
CID 3685735
N-{2-[butyl(methyl)amino]ethyl}-2-[2-oxo-1,3-benzothiazol-3(2H)-yl]acetamide
CID 5307267
3-[2-(4-Ethylpiperazin-1-yl)-2-oxoethyl]-1,3-benzothiazol-2-one
CID 5309485
3-[2-(2,6-Dimethylpiperidin-1-yl)-2-oxoethyl]-1,3-benzothiazol-2-one
CID 5309642
N-(3-methyl-1,3-benzothiazol-2-ylidene)acetamide
CID 656374
N-(4-fluoro-3-methyl-1,3-benzothiazol-2-ylidene)-2-methylpropanamide
CID 2151118

Frequently Asked Questions

What is the IUPAC name of 2-(diethylamino)-N-(3-methyl-1,3-benzothiazol-2-ylidene)acetamide;hydrochloride?
The IUPAC name of 2-(diethylamino)-N-(3-methyl-1,3-benzothiazol-2-ylidene)acetamide;hydrochloride (CID 3053684) is 2-(diethylamino)-N-(3-methyl-1,3-benzothiazol-2-ylidene)acetamide;hydrochloride.
What is the SMILES notation for 2-(diethylamino)-N-(3-methyl-1,3-benzothiazol-2-ylidene)acetamide;hydrochloride?
The canonical SMILES for 2-(diethylamino)-N-(3-methyl-1,3-benzothiazol-2-ylidene)acetamide;hydrochloride is CCN(CC)CC(=O)/N=c1\sc2ccccc2n1C.Cl.
What is the InChIKey of 2-(diethylamino)-N-(3-methyl-1,3-benzothiazol-2-ylidene)acetamide;hydrochloride?
The InChIKey is DONKIRJGMBKRSK-BGWNKZQTSA-N. The full InChI is InChI=1S/C14H19N3OS.ClH/c1-4-17(5-2)10-13(18)15-14-16(3)11-8-6-7-9-12(11)19-14;/h6-9H,4-5,10H2,1-3H3;1H/b15-14-;.
What are the key properties of 2-(diethylamino)-N-(3-methyl-1,3-benzothiazol-2-ylidene)acetamide;hydrochloride?
2-(diethylamino)-N-(3-methyl-1,3-benzothiazol-2-ylidene)acetamide;hydrochloride has a molecular weight of 313.85 g/mol, XLogP of 2.43, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(diethylamino)-N-(3-methyl-1,3-benzothiazol-2-ylidene)acetamide;hydrochloride is sourced from PubChem (CID 3053684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).