methyl N-[2-[1,3-benzothiazol-2-ylmethyl(methyl)amino]acetyl]carbamate

C13H15N3O3S — CID 8803258

IUPACmethyl N-[2-[1,3-benzothiazol-2-ylmethyl(methyl)amino]acetyl]carbamate
SMILESCOC(=O)NC(=O)CN(C)Cc1nc2ccccc2s1
InChIInChI=1S/C13H15N3O3S/c1-16(7-11(17)15-13(18)19-2)8-12-14-9-5-3-4-6-10(9)20-12/h3-6H,7-8H2,1-2H3,(H,15,17,18)
InChIKeyXZPJZHIRRMDMRX-UHFFFAOYSA-N
MW293.35 g/mol
LogP1.61
Rot. Bonds4

About methyl N-[2-[1,3-benzothiazol-2-ylmethyl(methyl)amino]acetyl]carbamate

methyl N-[2-[1,3-benzothiazol-2-ylmethyl(methyl)amino]acetyl]carbamate (PubChem CID 8803258) has the molecular formula C13H15N3O3S and a molecular weight of 293.35 g/mol. Its IUPAC name is methyl N-[2-[1,3-benzothiazol-2-ylmethyl(methyl)amino]acetyl]carbamate.

Molecular Properties

Compound Namemethyl N-[2-[1,3-benzothiazol-2-ylmethyl(methyl)amino]acetyl]carbamate
PubChem CID8803258
Molecular FormulaC13H15N3O3S
Molecular Weight293.35 g/mol
Exact Mass293.08
IUPAC Namemethyl N-[2-[1,3-benzothiazol-2-ylmethyl(methyl)amino]acetyl]carbamate
SMILESCOC(=O)NC(=O)CN(C)Cc1nc2ccccc2s1
InChIInChI=1S/C13H15N3O3S/c1-16(7-11(17)15-13(18)19-2)8-12-14-9-5-3-4-6-10(9)20-12/h3-6H,7-8H2,1-2H3,(H,15,17,18)
InChIKeyXZPJZHIRRMDMRX-UHFFFAOYSA-N
XLogP1.61
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.35
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[1,3-benzothiazol-2-ylmethyl(methyl)amino]-N-(butylcarbamoyl)acetamide
CID 8803932
methyl 3-[1,3-benzothiazol-2-ylmethyl(methyl)amino]propanoate
CID 60699740
2-[1,3-benzothiazol-2-ylmethyl(methyl)amino]-N-prop-2-ynylacetamide
CID 26645461
methyl 4-[[[2-[1,3-benzothiazol-2-ylmethyl(methyl)amino]acetyl]amino]methyl]benzoate
CID 8801767
2-[1,3-benzothiazol-2-ylmethyl(methyl)amino]-N-[2-(4-methoxyphenyl)ethyl]acetamide
CID 8801666
3-[1,3-benzothiazol-2-ylmethyl(methyl)amino]propanoic acid
CID 13285746
2-[1,3-benzothiazol-2-ylmethyl(methyl)amino]-N-(4-phenylphenyl)acetamide
CID 8802128
2-[1,3-benzothiazol-2-ylmethyl(methyl)amino]-N-(3-bromophenyl)acetamide
CID 8801611
2-[[2-[1,3-benzothiazol-2-ylmethyl(methyl)amino]acetyl]amino]benzamide
CID 18136049
2-[1,3-benzothiazol-2-ylmethyl(methyl)amino]-N-(4-ethylphenyl)acetamide
CID 8801536
2-[1,3-benzothiazol-2-ylmethyl(methyl)amino]-N-(2,4-dimethoxyphenyl)acetamide
CID 26645014
2-[1,3-benzothiazol-2-ylmethyl(methyl)amino]-N-(2-methoxy-5-methylphenyl)acetamide
CID 8801587

Frequently Asked Questions

What is the IUPAC name of methyl N-[2-[1,3-benzothiazol-2-ylmethyl(methyl)amino]acetyl]carbamate?
The IUPAC name of methyl N-[2-[1,3-benzothiazol-2-ylmethyl(methyl)amino]acetyl]carbamate (CID 8803258) is methyl N-[2-[1,3-benzothiazol-2-ylmethyl(methyl)amino]acetyl]carbamate.
What is the SMILES notation for methyl N-[2-[1,3-benzothiazol-2-ylmethyl(methyl)amino]acetyl]carbamate?
The canonical SMILES for methyl N-[2-[1,3-benzothiazol-2-ylmethyl(methyl)amino]acetyl]carbamate is COC(=O)NC(=O)CN(C)Cc1nc2ccccc2s1.
What is the InChIKey of methyl N-[2-[1,3-benzothiazol-2-ylmethyl(methyl)amino]acetyl]carbamate?
The InChIKey is XZPJZHIRRMDMRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O3S/c1-16(7-11(17)15-13(18)19-2)8-12-14-9-5-3-4-6-10(9)20-12/h3-6H,7-8H2,1-2H3,(H,15,17,18).
What are the key properties of methyl N-[2-[1,3-benzothiazol-2-ylmethyl(methyl)amino]acetyl]carbamate?
methyl N-[2-[1,3-benzothiazol-2-ylmethyl(methyl)amino]acetyl]carbamate has a molecular weight of 293.35 g/mol, XLogP of 1.61, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[2-[1,3-benzothiazol-2-ylmethyl(methyl)amino]acetyl]carbamate is sourced from PubChem (CID 8803258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).