[(6R)-2-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-6-yl] N-tert-butylcarbamate

C13H20N2O2S — CID 175514077

IUPAC[(6R)-2-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-6-yl] N-tert-butylcarbamate
SMILESCc1nc2c(s1)C[C@H](OC(=O)NC(C)(C)C)CC2
InChIInChI=1S/C13H20N2O2S/c1-8-14-10-6-5-9(7-11(10)18-8)17-12(16)15-13(2,3)4/h9H,5-7H2,1-4H3,(H,15,16)/t9-/m1/s1
InChIKeyCRLLFJCCLGUQFH-SECBINFHSA-N
MW268.38 g/mol
LogP2.83
Rot. Bonds1

About [(6R)-2-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-6-yl] N-tert-butylcarbamate

[(6R)-2-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-6-yl] N-tert-butylcarbamate (PubChem CID 175514077) has the molecular formula C13H20N2O2S and a molecular weight of 268.38 g/mol. Its IUPAC name is [(6R)-2-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-6-yl] N-tert-butylcarbamate.

Molecular Properties

Compound Name[(6R)-2-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-6-yl] N-tert-butylcarbamate
PubChem CID175514077
Molecular FormulaC13H20N2O2S
Molecular Weight268.38 g/mol
Exact Mass268.12
IUPAC Name[(6R)-2-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-6-yl] N-tert-butylcarbamate
SMILESCc1nc2c(s1)C[C@H](OC(=O)NC(C)(C)C)CC2
InChIInChI=1S/C13H20N2O2S/c1-8-14-10-6-5-9(7-11(10)18-8)17-12(16)15-13(2,3)4/h9H,5-7H2,1-4H3,(H,15,16)/t9-/m1/s1
InChIKeyCRLLFJCCLGUQFH-SECBINFHSA-N
XLogP2.83
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.38
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [(6R)-2-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-6-yl] N-tert-butylcarbamate?
The IUPAC name of [(6R)-2-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-6-yl] N-tert-butylcarbamate (CID 175514077) is [(6R)-2-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-6-yl] N-tert-butylcarbamate.
What is the SMILES notation for [(6R)-2-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-6-yl] N-tert-butylcarbamate?
The canonical SMILES for [(6R)-2-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-6-yl] N-tert-butylcarbamate is Cc1nc2c(s1)C[C@H](OC(=O)NC(C)(C)C)CC2.
What is the InChIKey of [(6R)-2-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-6-yl] N-tert-butylcarbamate?
The InChIKey is CRLLFJCCLGUQFH-SECBINFHSA-N. The full InChI is InChI=1S/C13H20N2O2S/c1-8-14-10-6-5-9(7-11(10)18-8)17-12(16)15-13(2,3)4/h9H,5-7H2,1-4H3,(H,15,16)/t9-/m1/s1.
What are the key properties of [(6R)-2-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-6-yl] N-tert-butylcarbamate?
[(6R)-2-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-6-yl] N-tert-butylcarbamate has a molecular weight of 268.38 g/mol, XLogP of 2.83, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(6R)-2-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-6-yl] N-tert-butylcarbamate is sourced from PubChem (CID 175514077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).