1,3-benzothiazol-2-ylmethyl(cyclopropylmethyl)carbamic acid

C13H14N2O2S — CID 89478773

IUPAC1,3-benzothiazol-2-ylmethyl(cyclopropylmethyl)carbamic acid
SMILESO=C(O)N(Cc1nc2ccccc2s1)CC1CC1
InChIInChI=1S/C13H14N2O2S/c16-13(17)15(7-9-5-6-9)8-12-14-10-3-1-2-4-11(10)18-12/h1-4,9H,5-8H2,(H,16,17)
InChIKeyNBMIPYJLNZCCAB-UHFFFAOYSA-N
MW262.33 g/mol
LogP3.19
Rot. Bonds4

About 1,3-benzothiazol-2-ylmethyl(cyclopropylmethyl)carbamic acid

1,3-benzothiazol-2-ylmethyl(cyclopropylmethyl)carbamic acid (PubChem CID 89478773) has the molecular formula C13H14N2O2S and a molecular weight of 262.33 g/mol. Its IUPAC name is 1,3-benzothiazol-2-ylmethyl(cyclopropylmethyl)carbamic acid.

Molecular Properties

Compound Name1,3-benzothiazol-2-ylmethyl(cyclopropylmethyl)carbamic acid
PubChem CID89478773
Molecular FormulaC13H14N2O2S
Molecular Weight262.33 g/mol
Exact Mass262.08
IUPAC Name1,3-benzothiazol-2-ylmethyl(cyclopropylmethyl)carbamic acid
SMILESO=C(O)N(Cc1nc2ccccc2s1)CC1CC1
InChIInChI=1S/C13H14N2O2S/c16-13(17)15(7-9-5-6-9)8-12-14-10-3-1-2-4-11(10)18-12/h1-4,9H,5-8H2,(H,16,17)
InChIKeyNBMIPYJLNZCCAB-UHFFFAOYSA-N
XLogP3.19
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.33
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1,3-benzothiazol-2-ylmethyl)-N-methylcyclopropanecarboxamide
CID 60666090
3-[1,3-benzothiazol-2-ylmethyl(methyl)amino]propanoic acid
CID 13285746
2-(1,3-benzothiazol-2-yl)-N-(cyclopropylmethyl)ethanamine
CID 43654900
2-[1,3-benzothiazol-2-ylmethyl(methyl)amino]-2-methylpropanoic acid
CID 62817497
(2R)-2-[1,3-benzothiazol-2-ylmethyl(methyl)amino]-N-cyclopropyl-2-phenylacetamide
CID 8803422
N-(1,3-benzothiazol-2-ylmethyl)-N-cyclohexylaniline
CID 164665828
N'-(1,3-benzothiazol-2-ylmethyl)-N-cyclopropyl-N'-methylethane-1,2-diamine
CID 104631221
3-amino-N-(1,3-benzothiazol-2-ylmethyl)-N-methylcyclohexane-1-carboxamide
CID 63042696
2-(1,3-benzothiazol-2-ylmethyl)-3-methylbutanoic acid
CID 79819156
N-(1,3-benzothiazol-2-ylmethyl)-N-methylcyclooctanamine
CID 75445228
(2R)-N-(1,3-benzothiazol-2-ylmethyl)-N-methylpyrrolidine-2-carboxamide
CID 103813341
2-[1,3-benzothiazol-2-ylmethyl(ethyl)amino]-2-methylpropanoic acid
CID 62820956

Frequently Asked Questions

What is the IUPAC name of 1,3-benzothiazol-2-ylmethyl(cyclopropylmethyl)carbamic acid?
The IUPAC name of 1,3-benzothiazol-2-ylmethyl(cyclopropylmethyl)carbamic acid (CID 89478773) is 1,3-benzothiazol-2-ylmethyl(cyclopropylmethyl)carbamic acid.
What is the SMILES notation for 1,3-benzothiazol-2-ylmethyl(cyclopropylmethyl)carbamic acid?
The canonical SMILES for 1,3-benzothiazol-2-ylmethyl(cyclopropylmethyl)carbamic acid is O=C(O)N(Cc1nc2ccccc2s1)CC1CC1.
What is the InChIKey of 1,3-benzothiazol-2-ylmethyl(cyclopropylmethyl)carbamic acid?
The InChIKey is NBMIPYJLNZCCAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O2S/c16-13(17)15(7-9-5-6-9)8-12-14-10-3-1-2-4-11(10)18-12/h1-4,9H,5-8H2,(H,16,17).
What are the key properties of 1,3-benzothiazol-2-ylmethyl(cyclopropylmethyl)carbamic acid?
1,3-benzothiazol-2-ylmethyl(cyclopropylmethyl)carbamic acid has a molecular weight of 262.33 g/mol, XLogP of 3.19, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-benzothiazol-2-ylmethyl(cyclopropylmethyl)carbamic acid is sourced from PubChem (CID 89478773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).