4-methoxy-2-(methylcarbamoylamino)-N-(2,4,6-trimethylphenyl)-1,3-benzothiazole-6-carboxamide

C20H22N4O3S — CID 22634495

IUPAC4-methoxy-2-(methylcarbamoylamino)-N-(2,4,6-trimethylphenyl)-1,3-benzothiazole-6-carboxamide
SMILESCNC(=O)Nc1nc2c(OC)cc(C(=O)Nc3c(C)cc(C)cc3C)cc2s1
InChIInChI=1S/C20H22N4O3S/c1-10-6-11(2)16(12(3)7-10)22-18(25)13-8-14(27-5)17-15(9-13)28-20(23-17)24-19(26)21-4/h6-9H,1-5H3,(H,22,25)(H2,21,23,24,26)
InChIKeyXZEICEKELXEHBZ-UHFFFAOYSA-N
MW398.49 g/mol
LogP4.23
Rot. Bonds4

About 4-methoxy-2-(methylcarbamoylamino)-N-(2,4,6-trimethylphenyl)-1,3-benzothiazole-6-carboxamide

4-methoxy-2-(methylcarbamoylamino)-N-(2,4,6-trimethylphenyl)-1,3-benzothiazole-6-carboxamide (PubChem CID 22634495) has the molecular formula C20H22N4O3S and a molecular weight of 398.49 g/mol. Its IUPAC name is 4-methoxy-2-(methylcarbamoylamino)-N-(2,4,6-trimethylphenyl)-1,3-benzothiazole-6-carboxamide.

Molecular Properties

Compound Name4-methoxy-2-(methylcarbamoylamino)-N-(2,4,6-trimethylphenyl)-1,3-benzothiazole-6-carboxamide
PubChem CID22634495
Molecular FormulaC20H22N4O3S
Molecular Weight398.49 g/mol
Exact Mass398.14
IUPAC Name4-methoxy-2-(methylcarbamoylamino)-N-(2,4,6-trimethylphenyl)-1,3-benzothiazole-6-carboxamide
SMILESCNC(=O)Nc1nc2c(OC)cc(C(=O)Nc3c(C)cc(C)cc3C)cc2s1
InChIInChI=1S/C20H22N4O3S/c1-10-6-11(2)16(12(3)7-10)22-18(25)13-8-14(27-5)17-15(9-13)28-20(23-17)24-19(26)21-4/h6-9H,1-5H3,(H,22,25)(H2,21,23,24,26)
InChIKeyXZEICEKELXEHBZ-UHFFFAOYSA-N
XLogP4.23
TPSA92.35 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.49
LogP ≤ 54.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

4-methoxy-N-(2,4,6-trimethylphenyl)-1,3-benzothiazole-6-carboxamide
CID 54003528
2-[(4-methoxy-2-methylphenyl)carbamoylamino]-N-(2,4,6-trimethylphenyl)-1,3-benzothiazole-6-carboxamide
CID 22634502
[6-bromo-4-[(2,4,6-trimethylphenyl)carbamoyl]-1,3-benzothiazol-2-yl]carbamic acid
CID 22634271
N-[6-[(2,4-dimethylphenyl)carbamoylamino]-4-methoxy-1,3-benzothiazol-2-yl]acetamide
CID 46326031
N-(4,6-dimethyl-1,3-benzothiazol-2-yl)benzamide
CID 4307053
N-(4,6-dimethoxy-1,3-benzothiazol-2-yl)-1,3-benzothiazole-6-carboxamide
CID 4621786
methyl 4-[(6-amino-4-methoxy-1,3-benzothiazol-2-yl)carbamoyl]benzoate
CID 1160312
3-methoxy-4-methyl-N-(4-methyl-1,3-benzothiazol-2-yl)benzamide
CID 18126566
N-[(4,6-dimethyl-1,3-benzothiazol-2-yl)carbamothioyl]-2,6-dimethoxybenzamide
CID 19631072
2-[3-(2,3,4-trimethoxyphenyl)propanoylamino]-N-(2,4,6-trimethylphenyl)-1,3-benzothiazole-6-carboxamide
CID 22634262
4-amino-3-methoxy-N-(2,4,6-trimethylphenyl)benzamide
CID 104782317
3,5-dimethyl-N-(2,4,6-trimethylphenyl)benzamide
CID 918543

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-2-(methylcarbamoylamino)-N-(2,4,6-trimethylphenyl)-1,3-benzothiazole-6-carboxamide?
The IUPAC name of 4-methoxy-2-(methylcarbamoylamino)-N-(2,4,6-trimethylphenyl)-1,3-benzothiazole-6-carboxamide (CID 22634495) is 4-methoxy-2-(methylcarbamoylamino)-N-(2,4,6-trimethylphenyl)-1,3-benzothiazole-6-carboxamide.
What is the SMILES notation for 4-methoxy-2-(methylcarbamoylamino)-N-(2,4,6-trimethylphenyl)-1,3-benzothiazole-6-carboxamide?
The canonical SMILES for 4-methoxy-2-(methylcarbamoylamino)-N-(2,4,6-trimethylphenyl)-1,3-benzothiazole-6-carboxamide is CNC(=O)Nc1nc2c(OC)cc(C(=O)Nc3c(C)cc(C)cc3C)cc2s1.
What is the InChIKey of 4-methoxy-2-(methylcarbamoylamino)-N-(2,4,6-trimethylphenyl)-1,3-benzothiazole-6-carboxamide?
The InChIKey is XZEICEKELXEHBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O3S/c1-10-6-11(2)16(12(3)7-10)22-18(25)13-8-14(27-5)17-15(9-13)28-20(23-17)24-19(26)21-4/h6-9H,1-5H3,(H,22,25)(H2,21,23,24,26).
What are the key properties of 4-methoxy-2-(methylcarbamoylamino)-N-(2,4,6-trimethylphenyl)-1,3-benzothiazole-6-carboxamide?
4-methoxy-2-(methylcarbamoylamino)-N-(2,4,6-trimethylphenyl)-1,3-benzothiazole-6-carboxamide has a molecular weight of 398.49 g/mol, XLogP of 4.23, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-2-(methylcarbamoylamino)-N-(2,4,6-trimethylphenyl)-1,3-benzothiazole-6-carboxamide is sourced from PubChem (CID 22634495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).