2-methyl-5-spiro[5,7-dihydro-4H-1,3-benzothiazole-6,1'-cyclopentane]-2-ylpyrimidin-4-amine

C16H20N4S — CID 114818574

IUPAC2-methyl-5-spiro[5,7-dihydro-4H-1,3-benzothiazole-6,1'-cyclopentane]-2-ylpyrimidin-4-amine
SMILESCc1ncc(-c2nc3c(s2)CC2(CCCC2)CC3)c(N)n1
InChIInChI=1S/C16H20N4S/c1-10-18-9-11(14(17)19-10)15-20-12-4-7-16(5-2-3-6-16)8-13(12)21-15/h9H,2-8H2,1H3,(H2,17,18,19)
InChIKeyCKFJJGPTVIWNNC-UHFFFAOYSA-N
MW300.43 g/mol
LogP3.54
Rot. Bonds1

About 2-methyl-5-spiro[5,7-dihydro-4H-1,3-benzothiazole-6,1'-cyclopentane]-2-ylpyrimidin-4-amine

2-methyl-5-spiro[5,7-dihydro-4H-1,3-benzothiazole-6,1'-cyclopentane]-2-ylpyrimidin-4-amine (PubChem CID 114818574) has the molecular formula C16H20N4S and a molecular weight of 300.43 g/mol. Its IUPAC name is 2-methyl-5-spiro[5,7-dihydro-4H-1,3-benzothiazole-6,1'-cyclopentane]-2-ylpyrimidin-4-amine.

Molecular Properties

Compound Name2-methyl-5-spiro[5,7-dihydro-4H-1,3-benzothiazole-6,1'-cyclopentane]-2-ylpyrimidin-4-amine
PubChem CID114818574
Molecular FormulaC16H20N4S
Molecular Weight300.43 g/mol
Exact Mass300.14
IUPAC Name2-methyl-5-spiro[5,7-dihydro-4H-1,3-benzothiazole-6,1'-cyclopentane]-2-ylpyrimidin-4-amine
SMILESCc1ncc(-c2nc3c(s2)CC2(CCCC2)CC3)c(N)n1
InChIInChI=1S/C16H20N4S/c1-10-18-9-11(14(17)19-10)15-20-12-4-7-16(5-2-3-6-16)8-13(12)21-15/h9H,2-8H2,1H3,(H2,17,18,19)
InChIKeyCKFJJGPTVIWNNC-UHFFFAOYSA-N
XLogP3.54
TPSA64.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.43
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-spiro[5,7-dihydro-4H-1,3-benzothiazole-6,1'-cyclopentane]-2-ylpyrimidin-4-amine?
The IUPAC name of 2-methyl-5-spiro[5,7-dihydro-4H-1,3-benzothiazole-6,1'-cyclopentane]-2-ylpyrimidin-4-amine (CID 114818574) is 2-methyl-5-spiro[5,7-dihydro-4H-1,3-benzothiazole-6,1'-cyclopentane]-2-ylpyrimidin-4-amine.
What is the SMILES notation for 2-methyl-5-spiro[5,7-dihydro-4H-1,3-benzothiazole-6,1'-cyclopentane]-2-ylpyrimidin-4-amine?
The canonical SMILES for 2-methyl-5-spiro[5,7-dihydro-4H-1,3-benzothiazole-6,1'-cyclopentane]-2-ylpyrimidin-4-amine is Cc1ncc(-c2nc3c(s2)CC2(CCCC2)CC3)c(N)n1.
What is the InChIKey of 2-methyl-5-spiro[5,7-dihydro-4H-1,3-benzothiazole-6,1'-cyclopentane]-2-ylpyrimidin-4-amine?
The InChIKey is CKFJJGPTVIWNNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4S/c1-10-18-9-11(14(17)19-10)15-20-12-4-7-16(5-2-3-6-16)8-13(12)21-15/h9H,2-8H2,1H3,(H2,17,18,19).
What are the key properties of 2-methyl-5-spiro[5,7-dihydro-4H-1,3-benzothiazole-6,1'-cyclopentane]-2-ylpyrimidin-4-amine?
2-methyl-5-spiro[5,7-dihydro-4H-1,3-benzothiazole-6,1'-cyclopentane]-2-ylpyrimidin-4-amine has a molecular weight of 300.43 g/mol, XLogP of 3.54, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-spiro[5,7-dihydro-4H-1,3-benzothiazole-6,1'-cyclopentane]-2-ylpyrimidin-4-amine is sourced from PubChem (CID 114818574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).