4-[4-[[4-(1,3-thiazol-2-yl)piperazin-1-yl]methyl]pyrimidin-2-yl]morpholine

C16H22N6OS — CID 46980834

IUPAC4-[4-[[4-(1,3-thiazol-2-yl)piperazin-1-yl]methyl]pyrimidin-2-yl]morpholine
SMILESc1cc(CN2CCN(c3nccs3)CC2)nc(N2CCOCC2)n1
InChIInChI=1S/C16H22N6OS/c1-2-17-15(21-8-10-23-11-9-21)19-14(1)13-20-4-6-22(7-5-20)16-18-3-12-24-16/h1-3,12H,4-11,13H2
InChIKeyVLPKEYIGMDBZQI-UHFFFAOYSA-N
MW346.46 g/mol
LogP1.09
Rot. Bonds4

About 4-[4-[[4-(1,3-thiazol-2-yl)piperazin-1-yl]methyl]pyrimidin-2-yl]morpholine

4-[4-[[4-(1,3-thiazol-2-yl)piperazin-1-yl]methyl]pyrimidin-2-yl]morpholine (PubChem CID 46980834) has the molecular formula C16H22N6OS and a molecular weight of 346.46 g/mol. Its IUPAC name is 4-[4-[[4-(1,3-thiazol-2-yl)piperazin-1-yl]methyl]pyrimidin-2-yl]morpholine.

Molecular Properties

Compound Name4-[4-[[4-(1,3-thiazol-2-yl)piperazin-1-yl]methyl]pyrimidin-2-yl]morpholine
PubChem CID46980834
Molecular FormulaC16H22N6OS
Molecular Weight346.46 g/mol
Exact Mass346.16
IUPAC Name4-[4-[[4-(1,3-thiazol-2-yl)piperazin-1-yl]methyl]pyrimidin-2-yl]morpholine
SMILESc1cc(CN2CCN(c3nccs3)CC2)nc(N2CCOCC2)n1
InChIInChI=1S/C16H22N6OS/c1-2-17-15(21-8-10-23-11-9-21)19-14(1)13-20-4-6-22(7-5-20)16-18-3-12-24-16/h1-3,12H,4-11,13H2
InChIKeyVLPKEYIGMDBZQI-UHFFFAOYSA-N
XLogP1.09
TPSA57.62 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.46
LogP ≤ 51.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 4-[4-[[4-(1,3-thiazol-2-yl)piperazin-1-yl]methyl]pyrimidin-2-yl]morpholine?
The IUPAC name of 4-[4-[[4-(1,3-thiazol-2-yl)piperazin-1-yl]methyl]pyrimidin-2-yl]morpholine (CID 46980834) is 4-[4-[[4-(1,3-thiazol-2-yl)piperazin-1-yl]methyl]pyrimidin-2-yl]morpholine.
What is the SMILES notation for 4-[4-[[4-(1,3-thiazol-2-yl)piperazin-1-yl]methyl]pyrimidin-2-yl]morpholine?
The canonical SMILES for 4-[4-[[4-(1,3-thiazol-2-yl)piperazin-1-yl]methyl]pyrimidin-2-yl]morpholine is c1cc(CN2CCN(c3nccs3)CC2)nc(N2CCOCC2)n1.
What is the InChIKey of 4-[4-[[4-(1,3-thiazol-2-yl)piperazin-1-yl]methyl]pyrimidin-2-yl]morpholine?
The InChIKey is VLPKEYIGMDBZQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N6OS/c1-2-17-15(21-8-10-23-11-9-21)19-14(1)13-20-4-6-22(7-5-20)16-18-3-12-24-16/h1-3,12H,4-11,13H2.
What are the key properties of 4-[4-[[4-(1,3-thiazol-2-yl)piperazin-1-yl]methyl]pyrimidin-2-yl]morpholine?
4-[4-[[4-(1,3-thiazol-2-yl)piperazin-1-yl]methyl]pyrimidin-2-yl]morpholine has a molecular weight of 346.46 g/mol, XLogP of 1.09, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[[4-(1,3-thiazol-2-yl)piperazin-1-yl]methyl]pyrimidin-2-yl]morpholine is sourced from PubChem (CID 46980834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).