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

C19H20N4O3S — CID 46326031

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPACN-[6-[(2,4-dimethylphenyl)carbamoylamino]-4-methoxy-1,3-benzothiazol-2-yl]acetamide
SMILESCOc1cc(NC(=O)Nc2ccc(C)cc2C)cc2sc(NC(C)=O)nc12
InChIInChI=1S/C19H20N4O3S/c1-10-5-6-14(11(2)7-10)22-18(25)21-13-8-15(26-4)17-16(9-13)27-19(23-17)20-12(3)24/h5-9H,1-4H3,(H,20,23,24)(H2,21,22,25)
InChIKeyXXCVMDNASPZYBI-UHFFFAOYSA-N
MW384.46 g/mol
LogP4.52
Rot. Bonds4

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

N-[6-[(2,4-dimethylphenyl)carbamoylamino]-4-methoxy-1,3-benzothiazol-2-yl]acetamide (PubChem CID 46326031) has the molecular formula C19H20N4O3S and a molecular weight of 384.46 g/mol. Its IUPAC name is N-[6-[(2,4-dimethylphenyl)carbamoylamino]-4-methoxy-1,3-benzothiazol-2-yl]acetamide.

Molecular Properties

Compound NameN-[6-[(2,4-dimethylphenyl)carbamoylamino]-4-methoxy-1,3-benzothiazol-2-yl]acetamide
PubChem CID46326031
Molecular FormulaC19H20N4O3S
Molecular Weight384.46 g/mol
Exact Mass384.13
IUPAC NameN-[6-[(2,4-dimethylphenyl)carbamoylamino]-4-methoxy-1,3-benzothiazol-2-yl]acetamide
SMILESCOc1cc(NC(=O)Nc2ccc(C)cc2C)cc2sc(NC(C)=O)nc12
InChIInChI=1S/C19H20N4O3S/c1-10-5-6-14(11(2)7-10)22-18(25)21-13-8-15(26-4)17-16(9-13)27-19(23-17)20-12(3)24/h5-9H,1-4H3,(H,20,23,24)(H2,21,22,25)
InChIKeyXXCVMDNASPZYBI-UHFFFAOYSA-N
XLogP4.52
TPSA92.35 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.46
LogP ≤ 54.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[6-[(2,4-dimethylphenyl)carbamoylamino]-4-methoxy-1,3-benzothiazol-2-yl]acetamide?
The IUPAC name of N-[6-[(2,4-dimethylphenyl)carbamoylamino]-4-methoxy-1,3-benzothiazol-2-yl]acetamide (CID 46326031) is N-[6-[(2,4-dimethylphenyl)carbamoylamino]-4-methoxy-1,3-benzothiazol-2-yl]acetamide.
What is the SMILES notation for N-[6-[(2,4-dimethylphenyl)carbamoylamino]-4-methoxy-1,3-benzothiazol-2-yl]acetamide?
The canonical SMILES for N-[6-[(2,4-dimethylphenyl)carbamoylamino]-4-methoxy-1,3-benzothiazol-2-yl]acetamide is COc1cc(NC(=O)Nc2ccc(C)cc2C)cc2sc(NC(C)=O)nc12.
What is the InChIKey of N-[6-[(2,4-dimethylphenyl)carbamoylamino]-4-methoxy-1,3-benzothiazol-2-yl]acetamide?
The InChIKey is XXCVMDNASPZYBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O3S/c1-10-5-6-14(11(2)7-10)22-18(25)21-13-8-15(26-4)17-16(9-13)27-19(23-17)20-12(3)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-methoxy-1,3-benzothiazol-2-yl]acetamide?
N-[6-[(2,4-dimethylphenyl)carbamoylamino]-4-methoxy-1,3-benzothiazol-2-yl]acetamide has a molecular weight of 384.46 g/mol, XLogP of 4.52, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[(2,4-dimethylphenyl)carbamoylamino]-4-methoxy-1,3-benzothiazol-2-yl]acetamide is sourced from PubChem (CID 46326031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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