2-methyl-4-[[4-(6-pyrrolidin-1-ylpyrimidin-4-yl)piperidin-1-yl]methyl]-1,3-thiazole

C18H25N5S — CID 56882695

IUPAC2-methyl-4-[[4-(6-pyrrolidin-1-ylpyrimidin-4-yl)piperidin-1-yl]methyl]-1,3-thiazole
SMILESCc1nc(CN2CCC(c3cc(N4CCCC4)ncn3)CC2)cs1
InChIInChI=1S/C18H25N5S/c1-14-21-16(12-24-14)11-22-8-4-15(5-9-22)17-10-18(20-13-19-17)23-6-2-3-7-23/h10,12-13,15H,2-9,11H2,1H3
InChIKeyLJBAZYOVUAHUOP-UHFFFAOYSA-N
MW343.50 g/mol
LogP3.22
Rot. Bonds4

About 2-methyl-4-[[4-(6-pyrrolidin-1-ylpyrimidin-4-yl)piperidin-1-yl]methyl]-1,3-thiazole

2-methyl-4-[[4-(6-pyrrolidin-1-ylpyrimidin-4-yl)piperidin-1-yl]methyl]-1,3-thiazole (PubChem CID 56882695) has the molecular formula C18H25N5S and a molecular weight of 343.50 g/mol. Its IUPAC name is 2-methyl-4-[[4-(6-pyrrolidin-1-ylpyrimidin-4-yl)piperidin-1-yl]methyl]-1,3-thiazole.

Molecular Properties

Compound Name2-methyl-4-[[4-(6-pyrrolidin-1-ylpyrimidin-4-yl)piperidin-1-yl]methyl]-1,3-thiazole
PubChem CID56882695
Molecular FormulaC18H25N5S
Molecular Weight343.50 g/mol
Exact Mass343.18
IUPAC Name2-methyl-4-[[4-(6-pyrrolidin-1-ylpyrimidin-4-yl)piperidin-1-yl]methyl]-1,3-thiazole
SMILESCc1nc(CN2CCC(c3cc(N4CCCC4)ncn3)CC2)cs1
InChIInChI=1S/C18H25N5S/c1-14-21-16(12-24-14)11-22-8-4-15(5-9-22)17-10-18(20-13-19-17)23-6-2-3-7-23/h10,12-13,15H,2-9,11H2,1H3
InChIKeyLJBAZYOVUAHUOP-UHFFFAOYSA-N
XLogP3.22
TPSA45.15 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.50
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-[[4-(6-pyrrolidin-1-ylpyrimidin-4-yl)piperidin-1-yl]methyl]-1,3-thiazole?
The IUPAC name of 2-methyl-4-[[4-(6-pyrrolidin-1-ylpyrimidin-4-yl)piperidin-1-yl]methyl]-1,3-thiazole (CID 56882695) is 2-methyl-4-[[4-(6-pyrrolidin-1-ylpyrimidin-4-yl)piperidin-1-yl]methyl]-1,3-thiazole.
What is the SMILES notation for 2-methyl-4-[[4-(6-pyrrolidin-1-ylpyrimidin-4-yl)piperidin-1-yl]methyl]-1,3-thiazole?
The canonical SMILES for 2-methyl-4-[[4-(6-pyrrolidin-1-ylpyrimidin-4-yl)piperidin-1-yl]methyl]-1,3-thiazole is Cc1nc(CN2CCC(c3cc(N4CCCC4)ncn3)CC2)cs1.
What is the InChIKey of 2-methyl-4-[[4-(6-pyrrolidin-1-ylpyrimidin-4-yl)piperidin-1-yl]methyl]-1,3-thiazole?
The InChIKey is LJBAZYOVUAHUOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N5S/c1-14-21-16(12-24-14)11-22-8-4-15(5-9-22)17-10-18(20-13-19-17)23-6-2-3-7-23/h10,12-13,15H,2-9,11H2,1H3.
What are the key properties of 2-methyl-4-[[4-(6-pyrrolidin-1-ylpyrimidin-4-yl)piperidin-1-yl]methyl]-1,3-thiazole?
2-methyl-4-[[4-(6-pyrrolidin-1-ylpyrimidin-4-yl)piperidin-1-yl]methyl]-1,3-thiazole has a molecular weight of 343.50 g/mol, XLogP of 3.22, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-[[4-(6-pyrrolidin-1-ylpyrimidin-4-yl)piperidin-1-yl]methyl]-1,3-thiazole is sourced from PubChem (CID 56882695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).