2-[1-(4-methoxy-6-methylpyrimidin-2-yl)piperidin-3-yl]-4,5,6,7-tetrahydro-1,3-benzothiazole

C18H24N4OS — CID 139009435

IUPAC2-[1-(4-methoxy-6-methylpyrimidin-2-yl)piperidin-3-yl]-4,5,6,7-tetrahydro-1,3-benzothiazole
SMILESCOc1cc(C)nc(N2CCCC(c3nc4c(s3)CCCC4)C2)n1
InChIInChI=1S/C18H24N4OS/c1-12-10-16(23-2)21-18(19-12)22-9-5-6-13(11-22)17-20-14-7-3-4-8-15(14)24-17/h10,13H,3-9,11H2,1-2H3
InChIKeyOXCHVDVSSVZQHJ-UHFFFAOYSA-N
MW344.48 g/mol
LogP3.51
Rot. Bonds3

About 2-[1-(4-methoxy-6-methylpyrimidin-2-yl)piperidin-3-yl]-4,5,6,7-tetrahydro-1,3-benzothiazole

2-[1-(4-methoxy-6-methylpyrimidin-2-yl)piperidin-3-yl]-4,5,6,7-tetrahydro-1,3-benzothiazole (PubChem CID 139009435) has the molecular formula C18H24N4OS and a molecular weight of 344.48 g/mol. Its IUPAC name is 2-[1-(4-methoxy-6-methylpyrimidin-2-yl)piperidin-3-yl]-4,5,6,7-tetrahydro-1,3-benzothiazole.

Molecular Properties

Compound Name2-[1-(4-methoxy-6-methylpyrimidin-2-yl)piperidin-3-yl]-4,5,6,7-tetrahydro-1,3-benzothiazole
PubChem CID139009435
Molecular FormulaC18H24N4OS
Molecular Weight344.48 g/mol
Exact Mass344.17
IUPAC Name2-[1-(4-methoxy-6-methylpyrimidin-2-yl)piperidin-3-yl]-4,5,6,7-tetrahydro-1,3-benzothiazole
SMILESCOc1cc(C)nc(N2CCCC(c3nc4c(s3)CCCC4)C2)n1
InChIInChI=1S/C18H24N4OS/c1-12-10-16(23-2)21-18(19-12)22-9-5-6-13(11-22)17-20-14-7-3-4-8-15(14)24-17/h10,13H,3-9,11H2,1-2H3
InChIKeyOXCHVDVSSVZQHJ-UHFFFAOYSA-N
XLogP3.51
TPSA51.14 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.48
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-[1-(4-methoxy-6-methylpyrimidin-2-yl)piperidin-3-yl]-4,5,6,7-tetrahydro-1,3-benzothiazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-methoxy-6-methylpyrimidin-2-yl)piperidin-3-yl]-4,5,6,7-tetrahydro-1,3-benzothiazole?
The IUPAC name of 2-[1-(4-methoxy-6-methylpyrimidin-2-yl)piperidin-3-yl]-4,5,6,7-tetrahydro-1,3-benzothiazole (CID 139009435) is 2-[1-(4-methoxy-6-methylpyrimidin-2-yl)piperidin-3-yl]-4,5,6,7-tetrahydro-1,3-benzothiazole.
What is the SMILES notation for 2-[1-(4-methoxy-6-methylpyrimidin-2-yl)piperidin-3-yl]-4,5,6,7-tetrahydro-1,3-benzothiazole?
The canonical SMILES for 2-[1-(4-methoxy-6-methylpyrimidin-2-yl)piperidin-3-yl]-4,5,6,7-tetrahydro-1,3-benzothiazole is COc1cc(C)nc(N2CCCC(c3nc4c(s3)CCCC4)C2)n1.
What is the InChIKey of 2-[1-(4-methoxy-6-methylpyrimidin-2-yl)piperidin-3-yl]-4,5,6,7-tetrahydro-1,3-benzothiazole?
The InChIKey is OXCHVDVSSVZQHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4OS/c1-12-10-16(23-2)21-18(19-12)22-9-5-6-13(11-22)17-20-14-7-3-4-8-15(14)24-17/h10,13H,3-9,11H2,1-2H3.
What are the key properties of 2-[1-(4-methoxy-6-methylpyrimidin-2-yl)piperidin-3-yl]-4,5,6,7-tetrahydro-1,3-benzothiazole?
2-[1-(4-methoxy-6-methylpyrimidin-2-yl)piperidin-3-yl]-4,5,6,7-tetrahydro-1,3-benzothiazole has a molecular weight of 344.48 g/mol, XLogP of 3.51, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4-methoxy-6-methylpyrimidin-2-yl)piperidin-3-yl]-4,5,6,7-tetrahydro-1,3-benzothiazole is sourced from PubChem (CID 139009435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).