2,4-dimethyl-5-[[4-(6-methylpyrimidin-4-yl)piperazin-1-yl]methyl]-1,3-thiazole

C15H21N5S — CID 155975428

IUPAC2,4-dimethyl-5-[[4-(6-methylpyrimidin-4-yl)piperazin-1-yl]methyl]-1,3-thiazole
SMILESCc1cc(N2CCN(Cc3sc(C)nc3C)CC2)ncn1
InChIInChI=1S/C15H21N5S/c1-11-8-15(17-10-16-11)20-6-4-19(5-7-20)9-14-12(2)18-13(3)21-14/h8,10H,4-7,9H2,1-3H3
InChIKeyPCGHMPNOYXNULH-UHFFFAOYSA-N
MW303.44 g/mol
LogP2.18
Rot. Bonds3

About 2,4-dimethyl-5-[[4-(6-methylpyrimidin-4-yl)piperazin-1-yl]methyl]-1,3-thiazole

2,4-dimethyl-5-[[4-(6-methylpyrimidin-4-yl)piperazin-1-yl]methyl]-1,3-thiazole (PubChem CID 155975428) has the molecular formula C15H21N5S and a molecular weight of 303.44 g/mol. Its IUPAC name is 2,4-dimethyl-5-[[4-(6-methylpyrimidin-4-yl)piperazin-1-yl]methyl]-1,3-thiazole.

Molecular Properties

Compound Name2,4-dimethyl-5-[[4-(6-methylpyrimidin-4-yl)piperazin-1-yl]methyl]-1,3-thiazole
PubChem CID155975428
Molecular FormulaC15H21N5S
Molecular Weight303.44 g/mol
Exact Mass303.15
IUPAC Name2,4-dimethyl-5-[[4-(6-methylpyrimidin-4-yl)piperazin-1-yl]methyl]-1,3-thiazole
SMILESCc1cc(N2CCN(Cc3sc(C)nc3C)CC2)ncn1
InChIInChI=1S/C15H21N5S/c1-11-8-15(17-10-16-11)20-6-4-19(5-7-20)9-14-12(2)18-13(3)21-14/h8,10H,4-7,9H2,1-3H3
InChIKeyPCGHMPNOYXNULH-UHFFFAOYSA-N
XLogP2.18
TPSA45.15 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.44
LogP ≤ 52.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-5-[[4-(6-methylpyrimidin-4-yl)piperazin-1-yl]methyl]-1,3-thiazole?
The IUPAC name of 2,4-dimethyl-5-[[4-(6-methylpyrimidin-4-yl)piperazin-1-yl]methyl]-1,3-thiazole (CID 155975428) is 2,4-dimethyl-5-[[4-(6-methylpyrimidin-4-yl)piperazin-1-yl]methyl]-1,3-thiazole.
What is the SMILES notation for 2,4-dimethyl-5-[[4-(6-methylpyrimidin-4-yl)piperazin-1-yl]methyl]-1,3-thiazole?
The canonical SMILES for 2,4-dimethyl-5-[[4-(6-methylpyrimidin-4-yl)piperazin-1-yl]methyl]-1,3-thiazole is Cc1cc(N2CCN(Cc3sc(C)nc3C)CC2)ncn1.
What is the InChIKey of 2,4-dimethyl-5-[[4-(6-methylpyrimidin-4-yl)piperazin-1-yl]methyl]-1,3-thiazole?
The InChIKey is PCGHMPNOYXNULH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N5S/c1-11-8-15(17-10-16-11)20-6-4-19(5-7-20)9-14-12(2)18-13(3)21-14/h8,10H,4-7,9H2,1-3H3.
What are the key properties of 2,4-dimethyl-5-[[4-(6-methylpyrimidin-4-yl)piperazin-1-yl]methyl]-1,3-thiazole?
2,4-dimethyl-5-[[4-(6-methylpyrimidin-4-yl)piperazin-1-yl]methyl]-1,3-thiazole has a molecular weight of 303.44 g/mol, XLogP of 2.18, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-5-[[4-(6-methylpyrimidin-4-yl)piperazin-1-yl]methyl]-1,3-thiazole is sourced from PubChem (CID 155975428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).