N,N-dimethyl-2-[(4-methyl-1,3-benzothiazol-2-yl)amino]acetamide

C12H15N3OS — CID 79146934

IUPACN,N-dimethyl-2-[(4-methyl-1,3-benzothiazol-2-yl)amino]acetamide
SMILESCc1cccc2sc(NCC(=O)N(C)C)nc12
InChIInChI=1S/C12H15N3OS/c1-8-5-4-6-9-11(8)14-12(17-9)13-7-10(16)15(2)3/h4-6H,7H2,1-3H3,(H,13,14)
InChIKeyABSCCMPWTWDVOX-UHFFFAOYSA-N
MW249.34 g/mol
LogP2.10
Rot. Bonds3

About N,N-dimethyl-2-[(4-methyl-1,3-benzothiazol-2-yl)amino]acetamide

N,N-dimethyl-2-[(4-methyl-1,3-benzothiazol-2-yl)amino]acetamide (PubChem CID 79146934) has the molecular formula C12H15N3OS and a molecular weight of 249.34 g/mol. Its IUPAC name is N,N-dimethyl-2-[(4-methyl-1,3-benzothiazol-2-yl)amino]acetamide.

Molecular Properties

Compound NameN,N-dimethyl-2-[(4-methyl-1,3-benzothiazol-2-yl)amino]acetamide
PubChem CID79146934
Molecular FormulaC12H15N3OS
Molecular Weight249.34 g/mol
Exact Mass249.09
IUPAC NameN,N-dimethyl-2-[(4-methyl-1,3-benzothiazol-2-yl)amino]acetamide
SMILESCc1cccc2sc(NCC(=O)N(C)C)nc12
InChIInChI=1S/C12H15N3OS/c1-8-5-4-6-9-11(8)14-12(17-9)13-7-10(16)15(2)3/h4-6H,7H2,1-3H3,(H,13,14)
InChIKeyABSCCMPWTWDVOX-UHFFFAOYSA-N
XLogP2.10
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.34
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(4-methyl-1,3-benzothiazol-2-yl)amino]propanoic acid
CID 82192935
N-[2-[(4-methyl-1,3-benzothiazol-2-yl)amino]ethyl]acetamide
CID 79146680
4-methyl-N-(2-methylsulfanylethyl)-1,3-benzothiazol-2-amine
CID 79147292
4-methyl-N-(3-methyl-2-propan-2-ylbutyl)-1,3-benzothiazol-2-amine
CID 102906850
2-[(7-chloro-1,3-benzothiazol-2-yl)amino]-N,N-dimethylacetamide
CID 43311080
3-chloro-N-(4-methyl-1,3-benzothiazol-2-yl)propanamide
CID 12646557
N'-methyl-N-(4-methyl-1,3-benzothiazol-2-yl)-N'-propan-2-ylpropane-1,3-diamine
CID 106049330
2,2,2-trifluoro-N-(4-methyl-1,3-benzothiazol-2-yl)acetamide
CID 34555190
4-methyl-N-(2-methylsulfinylpropyl)-1,3-benzothiazol-2-amine
CID 113484222
2-[(5-fluoro-1,3-benzothiazol-2-yl)amino]-N,N-dimethylacetamide
CID 43311082
N-(2-ethylsulfinylethyl)-4-methyl-1,3-benzothiazol-2-amine
CID 113494989
3-[butyl(methyl)amino]-N-(4-methyl-1,3-benzothiazol-2-yl)propanamide
CID 108795390

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-[(4-methyl-1,3-benzothiazol-2-yl)amino]acetamide?
The IUPAC name of N,N-dimethyl-2-[(4-methyl-1,3-benzothiazol-2-yl)amino]acetamide (CID 79146934) is N,N-dimethyl-2-[(4-methyl-1,3-benzothiazol-2-yl)amino]acetamide.
What is the SMILES notation for N,N-dimethyl-2-[(4-methyl-1,3-benzothiazol-2-yl)amino]acetamide?
The canonical SMILES for N,N-dimethyl-2-[(4-methyl-1,3-benzothiazol-2-yl)amino]acetamide is Cc1cccc2sc(NCC(=O)N(C)C)nc12.
What is the InChIKey of N,N-dimethyl-2-[(4-methyl-1,3-benzothiazol-2-yl)amino]acetamide?
The InChIKey is ABSCCMPWTWDVOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3OS/c1-8-5-4-6-9-11(8)14-12(17-9)13-7-10(16)15(2)3/h4-6H,7H2,1-3H3,(H,13,14).
What are the key properties of N,N-dimethyl-2-[(4-methyl-1,3-benzothiazol-2-yl)amino]acetamide?
N,N-dimethyl-2-[(4-methyl-1,3-benzothiazol-2-yl)amino]acetamide has a molecular weight of 249.34 g/mol, XLogP of 2.10, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-[(4-methyl-1,3-benzothiazol-2-yl)amino]acetamide is sourced from PubChem (CID 79146934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).