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

C18H18N4O3S — CID 46326019

IUPACN-[4-methoxy-6-[(2-methylphenyl)carbamoylamino]-1,3-benzothiazol-2-yl]acetamide
SMILESCOc1cc(NC(=O)Nc2ccccc2C)cc2sc(NC(C)=O)nc12
InChIInChI=1S/C18H18N4O3S/c1-10-6-4-5-7-13(10)21-17(24)20-12-8-14(25-3)16-15(9-12)26-18(22-16)19-11(2)23/h4-9H,1-3H3,(H,19,22,23)(H2,20,21,24)
InChIKeyCEVBKOAFQCCVHW-UHFFFAOYSA-N
MW370.43 g/mol
LogP4.22
Rot. Bonds4

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

N-[4-methoxy-6-[(2-methylphenyl)carbamoylamino]-1,3-benzothiazol-2-yl]acetamide (PubChem CID 46326019) has the molecular formula C18H18N4O3S and a molecular weight of 370.43 g/mol. Its IUPAC name is N-[4-methoxy-6-[(2-methylphenyl)carbamoylamino]-1,3-benzothiazol-2-yl]acetamide.

Molecular Properties

Compound NameN-[4-methoxy-6-[(2-methylphenyl)carbamoylamino]-1,3-benzothiazol-2-yl]acetamide
PubChem CID46326019
Molecular FormulaC18H18N4O3S
Molecular Weight370.43 g/mol
Exact Mass370.11
IUPAC NameN-[4-methoxy-6-[(2-methylphenyl)carbamoylamino]-1,3-benzothiazol-2-yl]acetamide
SMILESCOc1cc(NC(=O)Nc2ccccc2C)cc2sc(NC(C)=O)nc12
InChIInChI=1S/C18H18N4O3S/c1-10-6-4-5-7-13(10)21-17(24)20-12-8-14(25-3)16-15(9-12)26-18(22-16)19-11(2)23/h4-9H,1-3H3,(H,19,22,23)(H2,20,21,24)
InChIKeyCEVBKOAFQCCVHW-UHFFFAOYSA-N
XLogP4.22
TPSA92.35 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.43
LogP ≤ 54.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-[6-[(2,4-dimethylphenyl)carbamoylamino]-4-methoxy-1,3-benzothiazol-2-yl]acetamide
CID 46326031
N-[4-methoxy-6-[(3-methylphenyl)carbamoylamino]-1,3-benzothiazol-2-yl]acetamide
CID 46326028
ethyl 2-[(2-acetamido-4-methoxy-1,3-benzothiazol-6-yl)carbamoylamino]acetate
CID 46326034
ethyl 2-[(2-benzamido-4-methoxy-1,3-benzothiazol-6-yl)carbamoylamino]benzoate
CID 46326065
N-[6-[(2,4-dimethylphenyl)carbamoylamino]-4-methyl-1,3-benzothiazol-2-yl]acetamide
CID 46325920
N-[6-[(3-fluoro-4-methylphenyl)carbamoylamino]-4-methoxy-1,3-benzothiazol-2-yl]benzamide
CID 46326080
ethyl (3S)-3-[(2-acetamido-4-methoxy-1,3-benzothiazol-6-yl)carbamoylamino]-3-phenylpropanoate
CID 92869915
1-(5,6-dimethyl-1,3-benzothiazol-2-yl)-3-(2-methoxyphenyl)urea
CID 17383803
N-[6-[(2-fluorophenyl)sulfonylamino]-4-methoxy-1,3-benzothiazol-2-yl]acetamide
CID 46325687
N-[6-[(2,5-dimethylphenyl)sulfonylamino]-4-methoxy-1,3-benzothiazol-2-yl]acetamide
CID 46325673
N-[6-(benzylcarbamoylamino)-4-methoxy-1,3-benzothiazol-2-yl]benzamide
CID 46326077
1-(2-methoxyphenyl)-3-[4-methyl-2-[(4-methylphenyl)sulfonylamino]-1,3-benzothiazol-6-yl]urea
CID 46382498

Frequently Asked Questions

What is the IUPAC name of N-[4-methoxy-6-[(2-methylphenyl)carbamoylamino]-1,3-benzothiazol-2-yl]acetamide?
The IUPAC name of N-[4-methoxy-6-[(2-methylphenyl)carbamoylamino]-1,3-benzothiazol-2-yl]acetamide (CID 46326019) is N-[4-methoxy-6-[(2-methylphenyl)carbamoylamino]-1,3-benzothiazol-2-yl]acetamide.
What is the SMILES notation for N-[4-methoxy-6-[(2-methylphenyl)carbamoylamino]-1,3-benzothiazol-2-yl]acetamide?
The canonical SMILES for N-[4-methoxy-6-[(2-methylphenyl)carbamoylamino]-1,3-benzothiazol-2-yl]acetamide is COc1cc(NC(=O)Nc2ccccc2C)cc2sc(NC(C)=O)nc12.
What is the InChIKey of N-[4-methoxy-6-[(2-methylphenyl)carbamoylamino]-1,3-benzothiazol-2-yl]acetamide?
The InChIKey is CEVBKOAFQCCVHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O3S/c1-10-6-4-5-7-13(10)21-17(24)20-12-8-14(25-3)16-15(9-12)26-18(22-16)19-11(2)23/h4-9H,1-3H3,(H,19,22,23)(H2,20,21,24).
What are the key properties of N-[4-methoxy-6-[(2-methylphenyl)carbamoylamino]-1,3-benzothiazol-2-yl]acetamide?
N-[4-methoxy-6-[(2-methylphenyl)carbamoylamino]-1,3-benzothiazol-2-yl]acetamide has a molecular weight of 370.43 g/mol, XLogP of 4.22, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-methoxy-6-[(2-methylphenyl)carbamoylamino]-1,3-benzothiazol-2-yl]acetamide is sourced from PubChem (CID 46326019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).