2-(2-methylpyrimidin-4-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-4-amine

C12H14N4S — CID 115528195

IUPAC2-(2-methylpyrimidin-4-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-4-amine
SMILESCc1nccc(-c2nc3c(s2)CCCC3N)n1
InChIInChI=1S/C12H14N4S/c1-7-14-6-5-9(15-7)12-16-11-8(13)3-2-4-10(11)17-12/h5-6,8H,2-4,13H2,1H3
InChIKeyOWMRQLGATRSFBJ-UHFFFAOYSA-N
MW246.34 g/mol
LogP2.24
Rot. Bonds1

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

2-(2-methylpyrimidin-4-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-4-amine (PubChem CID 115528195) has the molecular formula C12H14N4S and a molecular weight of 246.34 g/mol. Its IUPAC name is 2-(2-methylpyrimidin-4-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-4-amine.

Molecular Properties

Compound Name2-(2-methylpyrimidin-4-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-4-amine
PubChem CID115528195
Molecular FormulaC12H14N4S
Molecular Weight246.34 g/mol
Exact Mass246.09
IUPAC Name2-(2-methylpyrimidin-4-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-4-amine
SMILESCc1nccc(-c2nc3c(s2)CCCC3N)n1
InChIInChI=1S/C12H14N4S/c1-7-14-6-5-9(15-7)12-16-11-8(13)3-2-4-10(11)17-12/h5-6,8H,2-4,13H2,1H3
InChIKeyOWMRQLGATRSFBJ-UHFFFAOYSA-N
XLogP2.24
TPSA64.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.34
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methylpyrimidin-4-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-4-amine?
The IUPAC name of 2-(2-methylpyrimidin-4-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-4-amine (CID 115528195) is 2-(2-methylpyrimidin-4-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-4-amine.
What is the SMILES notation for 2-(2-methylpyrimidin-4-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-4-amine?
The canonical SMILES for 2-(2-methylpyrimidin-4-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-4-amine is Cc1nccc(-c2nc3c(s2)CCCC3N)n1.
What is the InChIKey of 2-(2-methylpyrimidin-4-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-4-amine?
The InChIKey is OWMRQLGATRSFBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4S/c1-7-14-6-5-9(15-7)12-16-11-8(13)3-2-4-10(11)17-12/h5-6,8H,2-4,13H2,1H3.
What are the key properties of 2-(2-methylpyrimidin-4-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-4-amine?
2-(2-methylpyrimidin-4-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-4-amine has a molecular weight of 246.34 g/mol, XLogP of 2.24, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylpyrimidin-4-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-4-amine is sourced from PubChem (CID 115528195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).