N-(6-methoxypyrimidin-4-yl)-2-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-4-amine

C13H16N4OS — CID 50962840

IUPACN-(6-methoxypyrimidin-4-yl)-2-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-4-amine
SMILESCOc1cc(NC2CCCc3sc(C)nc32)ncn1
InChIInChI=1S/C13H16N4OS/c1-8-16-13-9(4-3-5-10(13)19-8)17-11-6-12(18-2)15-7-14-11/h6-7,9H,3-5H2,1-2H3,(H,14,15,17)
InChIKeyUBJWUYCNFOOAOB-UHFFFAOYSA-N
MW276.36 g/mol
LogP2.74
Rot. Bonds3

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

N-(6-methoxypyrimidin-4-yl)-2-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-4-amine (PubChem CID 50962840) has the molecular formula C13H16N4OS and a molecular weight of 276.36 g/mol. Its IUPAC name is N-(6-methoxypyrimidin-4-yl)-2-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-4-amine.

Molecular Properties

Compound NameN-(6-methoxypyrimidin-4-yl)-2-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-4-amine
PubChem CID50962840
Molecular FormulaC13H16N4OS
Molecular Weight276.36 g/mol
Exact Mass276.10
IUPAC NameN-(6-methoxypyrimidin-4-yl)-2-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-4-amine
SMILESCOc1cc(NC2CCCc3sc(C)nc32)ncn1
InChIInChI=1S/C13H16N4OS/c1-8-16-13-9(4-3-5-10(13)19-8)17-11-6-12(18-2)15-7-14-11/h6-7,9H,3-5H2,1-2H3,(H,14,15,17)
InChIKeyUBJWUYCNFOOAOB-UHFFFAOYSA-N
XLogP2.74
TPSA59.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.36
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(6-methoxypyrimidin-4-yl)-2-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-4-amine?
The IUPAC name of N-(6-methoxypyrimidin-4-yl)-2-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-4-amine (CID 50962840) is N-(6-methoxypyrimidin-4-yl)-2-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-4-amine.
What is the SMILES notation for N-(6-methoxypyrimidin-4-yl)-2-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-4-amine?
The canonical SMILES for N-(6-methoxypyrimidin-4-yl)-2-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-4-amine is COc1cc(NC2CCCc3sc(C)nc32)ncn1.
What is the InChIKey of N-(6-methoxypyrimidin-4-yl)-2-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-4-amine?
The InChIKey is UBJWUYCNFOOAOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4OS/c1-8-16-13-9(4-3-5-10(13)19-8)17-11-6-12(18-2)15-7-14-11/h6-7,9H,3-5H2,1-2H3,(H,14,15,17).
What are the key properties of N-(6-methoxypyrimidin-4-yl)-2-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-4-amine?
N-(6-methoxypyrimidin-4-yl)-2-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-4-amine has a molecular weight of 276.36 g/mol, XLogP of 2.74, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-methoxypyrimidin-4-yl)-2-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-4-amine is sourced from PubChem (CID 50962840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).