N-(2-methoxyphenyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-2-amine

C14H16N2OS — CID 684856

IUPACN-(2-methoxyphenyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-2-amine
SMILESCOc1ccccc1Nc1nc2c(s1)CCCC2
InChIInChI=1S/C14H16N2OS/c1-17-12-8-4-2-6-10(12)15-14-16-11-7-3-5-9-13(11)18-14/h2,4,6,8H,3,5,7,9H2,1H3,(H,15,16)
InChIKeyLQLVHVMHQMPEIW-UHFFFAOYSA-N
MW260.36 g/mol
LogP3.77
Rot. Bonds3

About N-(2-methoxyphenyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-2-amine

N-(2-methoxyphenyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-2-amine (PubChem CID 684856) has the molecular formula C14H16N2OS and a molecular weight of 260.36 g/mol. Its IUPAC name is N-(2-methoxyphenyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-2-amine.

Molecular Properties

Compound NameN-(2-methoxyphenyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-2-amine
PubChem CID684856
Molecular FormulaC14H16N2OS
Molecular Weight260.36 g/mol
Exact Mass260.10
IUPAC NameN-(2-methoxyphenyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-2-amine
SMILESCOc1ccccc1Nc1nc2c(s1)CCCC2
InChIInChI=1S/C14H16N2OS/c1-17-12-8-4-2-6-10(12)15-14-16-11-7-3-5-9-13(11)18-14/h2,4,6,8H,3,5,7,9H2,1H3,(H,15,16)
InChIKeyLQLVHVMHQMPEIW-UHFFFAOYSA-N
XLogP3.77
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.36
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyphenyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-2-amine?
The IUPAC name of N-(2-methoxyphenyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-2-amine (CID 684856) is N-(2-methoxyphenyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-2-amine.
What is the SMILES notation for N-(2-methoxyphenyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-2-amine?
The canonical SMILES for N-(2-methoxyphenyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-2-amine is COc1ccccc1Nc1nc2c(s1)CCCC2.
What is the InChIKey of N-(2-methoxyphenyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-2-amine?
The InChIKey is LQLVHVMHQMPEIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2OS/c1-17-12-8-4-2-6-10(12)15-14-16-11-7-3-5-9-13(11)18-14/h2,4,6,8H,3,5,7,9H2,1H3,(H,15,16).
What are the key properties of N-(2-methoxyphenyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-2-amine?
N-(2-methoxyphenyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-2-amine has a molecular weight of 260.36 g/mol, XLogP of 3.77, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyphenyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-2-amine is sourced from PubChem (CID 684856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).