N-[6-[(2,4-dimethylphenyl)carbamoylamino]-4-methyl-1,3-benzothiazol-2-yl]acetamide

C19H20N4O2S — CID 46325920

IUPACN-[6-[(2,4-dimethylphenyl)carbamoylamino]-4-methyl-1,3-benzothiazol-2-yl]acetamide
SMILESCC(=O)Nc1nc2c(C)cc(NC(=O)Nc3ccc(C)cc3C)cc2s1
InChIInChI=1S/C19H20N4O2S/c1-10-5-6-15(11(2)7-10)22-18(25)21-14-8-12(3)17-16(9-14)26-19(23-17)20-13(4)24/h5-9H,1-4H3,(H,20,23,24)(H2,21,22,25)
InChIKeyLJJNAWQVIAZXQI-UHFFFAOYSA-N
MW368.46 g/mol
LogP4.82
Rot. Bonds3

About N-[6-[(2,4-dimethylphenyl)carbamoylamino]-4-methyl-1,3-benzothiazol-2-yl]acetamide

N-[6-[(2,4-dimethylphenyl)carbamoylamino]-4-methyl-1,3-benzothiazol-2-yl]acetamide (PubChem CID 46325920) has the molecular formula C19H20N4O2S and a molecular weight of 368.46 g/mol. Its IUPAC name is N-[6-[(2,4-dimethylphenyl)carbamoylamino]-4-methyl-1,3-benzothiazol-2-yl]acetamide.

Molecular Properties

Compound NameN-[6-[(2,4-dimethylphenyl)carbamoylamino]-4-methyl-1,3-benzothiazol-2-yl]acetamide
PubChem CID46325920
Molecular FormulaC19H20N4O2S
Molecular Weight368.46 g/mol
Exact Mass368.13
IUPAC NameN-[6-[(2,4-dimethylphenyl)carbamoylamino]-4-methyl-1,3-benzothiazol-2-yl]acetamide
SMILESCC(=O)Nc1nc2c(C)cc(NC(=O)Nc3ccc(C)cc3C)cc2s1
InChIInChI=1S/C19H20N4O2S/c1-10-5-6-15(11(2)7-10)22-18(25)21-14-8-12(3)17-16(9-14)26-19(23-17)20-13(4)24/h5-9H,1-4H3,(H,20,23,24)(H2,21,22,25)
InChIKeyLJJNAWQVIAZXQI-UHFFFAOYSA-N
XLogP4.82
TPSA83.12 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.46
LogP ≤ 54.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[6-[(2,4-dimethylphenyl)carbamoylamino]-4-methoxy-1,3-benzothiazol-2-yl]acetamide
CID 46326031
1-(4,6-dimethyl-1,3-benzothiazol-2-yl)-3-(3,5-dimethylphenyl)urea
CID 121080315
N-[4-methoxy-6-[(2-methylphenyl)carbamoylamino]-1,3-benzothiazol-2-yl]acetamide
CID 46326019
N-[6-[(2,5-dimethylphenyl)carbamoylamino]-1,3-benzothiazol-2-yl]acetamide
CID 46325788
N-[4-methoxy-6-[(3-methylphenyl)carbamoylamino]-1,3-benzothiazol-2-yl]acetamide
CID 46326028
N-(2-acetamido-4-methyl-1,3-benzothiazol-6-yl)-4-nitrobenzamide
CID 4059054
1-(2-methoxyphenyl)-3-[4-methyl-2-[(4-methylphenyl)sulfonylamino]-1,3-benzothiazol-6-yl]urea
CID 46382498
1-(2,4-dimethylphenyl)-3-[2-[(4-methylphenyl)sulfonylamino]-1,3-benzothiazol-6-yl]urea
CID 46382482
2-acetamido-N-(4,6-dimethyl-1,3-benzothiazol-2-yl)propanamide
CID 24644803
N-[6-[(3-chlorophenyl)carbamoylamino]-4-methyl-1,3-benzothiazol-2-yl]propanamide
CID 46325867
methyl 4-[[4-methyl-2-(propanoylamino)-1,3-benzothiazol-6-yl]carbamoylamino]benzoate
CID 46325897
N-[6-[(4-ethoxyphenyl)carbamoylamino]-4-methyl-1,3-benzothiazol-2-yl]propanamide
CID 46325883

Frequently Asked Questions

What is the IUPAC name of N-[6-[(2,4-dimethylphenyl)carbamoylamino]-4-methyl-1,3-benzothiazol-2-yl]acetamide?
The IUPAC name of N-[6-[(2,4-dimethylphenyl)carbamoylamino]-4-methyl-1,3-benzothiazol-2-yl]acetamide (CID 46325920) is N-[6-[(2,4-dimethylphenyl)carbamoylamino]-4-methyl-1,3-benzothiazol-2-yl]acetamide.
What is the SMILES notation for N-[6-[(2,4-dimethylphenyl)carbamoylamino]-4-methyl-1,3-benzothiazol-2-yl]acetamide?
The canonical SMILES for N-[6-[(2,4-dimethylphenyl)carbamoylamino]-4-methyl-1,3-benzothiazol-2-yl]acetamide is CC(=O)Nc1nc2c(C)cc(NC(=O)Nc3ccc(C)cc3C)cc2s1.
What is the InChIKey of N-[6-[(2,4-dimethylphenyl)carbamoylamino]-4-methyl-1,3-benzothiazol-2-yl]acetamide?
The InChIKey is LJJNAWQVIAZXQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O2S/c1-10-5-6-15(11(2)7-10)22-18(25)21-14-8-12(3)17-16(9-14)26-19(23-17)20-13(4)24/h5-9H,1-4H3,(H,20,23,24)(H2,21,22,25).
What are the key properties of N-[6-[(2,4-dimethylphenyl)carbamoylamino]-4-methyl-1,3-benzothiazol-2-yl]acetamide?
N-[6-[(2,4-dimethylphenyl)carbamoylamino]-4-methyl-1,3-benzothiazol-2-yl]acetamide has a molecular weight of 368.46 g/mol, XLogP of 4.82, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[(2,4-dimethylphenyl)carbamoylamino]-4-methyl-1,3-benzothiazol-2-yl]acetamide is sourced from PubChem (CID 46325920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).