2-[1-[4-[2,6-di(propan-2-yl)pyrimidin-4-yl]piperazin-1-yl]ethyl]-1,3-thiazole

C19H29N5S — CID 133476366

IUPAC2-[1-[4-[2,6-di(propan-2-yl)pyrimidin-4-yl]piperazin-1-yl]ethyl]-1,3-thiazole
SMILESCC(C)c1cc(N2CCN(C(C)c3nccs3)CC2)nc(C(C)C)n1
InChIInChI=1S/C19H29N5S/c1-13(2)16-12-17(22-18(21-16)14(3)4)24-9-7-23(8-10-24)15(5)19-20-6-11-25-19/h6,11-15H,7-10H2,1-5H3
InChIKeyPSRFDQIOXATXDK-UHFFFAOYSA-N
MW359.54 g/mol
LogP4.06
Rot. Bonds5

About 2-[1-[4-[2,6-di(propan-2-yl)pyrimidin-4-yl]piperazin-1-yl]ethyl]-1,3-thiazole

2-[1-[4-[2,6-di(propan-2-yl)pyrimidin-4-yl]piperazin-1-yl]ethyl]-1,3-thiazole (PubChem CID 133476366) has the molecular formula C19H29N5S and a molecular weight of 359.54 g/mol. Its IUPAC name is 2-[1-[4-[2,6-di(propan-2-yl)pyrimidin-4-yl]piperazin-1-yl]ethyl]-1,3-thiazole.

Molecular Properties

Compound Name2-[1-[4-[2,6-di(propan-2-yl)pyrimidin-4-yl]piperazin-1-yl]ethyl]-1,3-thiazole
PubChem CID133476366
Molecular FormulaC19H29N5S
Molecular Weight359.54 g/mol
Exact Mass359.21
IUPAC Name2-[1-[4-[2,6-di(propan-2-yl)pyrimidin-4-yl]piperazin-1-yl]ethyl]-1,3-thiazole
SMILESCC(C)c1cc(N2CCN(C(C)c3nccs3)CC2)nc(C(C)C)n1
InChIInChI=1S/C19H29N5S/c1-13(2)16-12-17(22-18(21-16)14(3)4)24-9-7-23(8-10-24)15(5)19-20-6-11-25-19/h6,11-15H,7-10H2,1-5H3
InChIKeyPSRFDQIOXATXDK-UHFFFAOYSA-N
XLogP4.06
TPSA45.15 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.54
LogP ≤ 54.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-[1-[4-[2,6-di(propan-2-yl)pyrimidin-4-yl]piperazin-1-yl]ethyl]-1,3-thiazole with MolForge

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Related Compounds

2-[1-[4-(6-chloro-2-methylpyrimidin-4-yl)piperazin-1-yl]ethyl]-1,3-thiazole
CID 133476665
4-chloro-6-[4-[1-(1,3-thiazol-2-yl)ethyl]piperazin-1-yl]pyrimidin-2-amine
CID 133476730
2-[1-[4-(1-chloroisoquinolin-3-yl)piperazin-1-yl]ethyl]-1,3-thiazole
CID 133476539
2-[1-[4-(5-bromo-2-pyridinyl)piperazin-1-yl]ethyl]-1,3-thiazole
CID 133476367
2-[1-[4-(6-methyl-2-pyridin-3-ylpyrimidin-4-yl)piperazin-1-yl]ethyl]-1,3-thiazole
CID 133476555
6-[4-[1-(1,3-thiazol-2-yl)ethyl]piperazin-1-yl]pyrazine-2-carboxamide
CID 133476331
4-[4-(2-methoxyethyl)piperazin-1-yl]-2,6-di(propan-2-yl)pyrimidine
CID 133408248
1-[2,6-di(propan-2-yl)pyrimidin-4-yl]piperidin-4-amine
CID 94075362
4-chloro-2-[4-[1-(1,3-thiazol-2-yl)ethyl]piperazin-1-yl]benzonitrile
CID 133476408
2-[1-[4-(4-nitrophenyl)piperazin-1-yl]ethyl]-1,3-thiazole
CID 133476612
5-tert-butyl-3-[4-[1-(1,3-thiazol-2-yl)ethyl]piperazin-1-yl]-1,2,4-oxadiazole
CID 133476421
2-[1-[4-(3-fluoro-2-nitrophenyl)piperazin-1-yl]ethyl]-1,3-thiazole
CID 133476620

Frequently Asked Questions

What is the IUPAC name of 2-[1-[4-[2,6-di(propan-2-yl)pyrimidin-4-yl]piperazin-1-yl]ethyl]-1,3-thiazole?
The IUPAC name of 2-[1-[4-[2,6-di(propan-2-yl)pyrimidin-4-yl]piperazin-1-yl]ethyl]-1,3-thiazole (CID 133476366) is 2-[1-[4-[2,6-di(propan-2-yl)pyrimidin-4-yl]piperazin-1-yl]ethyl]-1,3-thiazole.
What is the SMILES notation for 2-[1-[4-[2,6-di(propan-2-yl)pyrimidin-4-yl]piperazin-1-yl]ethyl]-1,3-thiazole?
The canonical SMILES for 2-[1-[4-[2,6-di(propan-2-yl)pyrimidin-4-yl]piperazin-1-yl]ethyl]-1,3-thiazole is CC(C)c1cc(N2CCN(C(C)c3nccs3)CC2)nc(C(C)C)n1.
What is the InChIKey of 2-[1-[4-[2,6-di(propan-2-yl)pyrimidin-4-yl]piperazin-1-yl]ethyl]-1,3-thiazole?
The InChIKey is PSRFDQIOXATXDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N5S/c1-13(2)16-12-17(22-18(21-16)14(3)4)24-9-7-23(8-10-24)15(5)19-20-6-11-25-19/h6,11-15H,7-10H2,1-5H3.
What are the key properties of 2-[1-[4-[2,6-di(propan-2-yl)pyrimidin-4-yl]piperazin-1-yl]ethyl]-1,3-thiazole?
2-[1-[4-[2,6-di(propan-2-yl)pyrimidin-4-yl]piperazin-1-yl]ethyl]-1,3-thiazole has a molecular weight of 359.54 g/mol, XLogP of 4.06, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[4-[2,6-di(propan-2-yl)pyrimidin-4-yl]piperazin-1-yl]ethyl]-1,3-thiazole is sourced from PubChem (CID 133476366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).