4-[1-[4-(1,3-thiazol-2-yl)-5-thiophen-2-ylpyrimidin-2-yl]piperidin-4-yl]morpholine

C20H23N5OS2 — CID 92571549

IUPAC4-[1-[4-(1,3-thiazol-2-yl)-5-thiophen-2-ylpyrimidin-2-yl]piperidin-4-yl]morpholine
SMILESc1csc(-c2cnc(N3CCC(N4CCOCC4)CC3)nc2-c2nccs2)c1
InChIInChI=1S/C20H23N5OS2/c1-2-17(27-12-1)16-14-22-20(23-18(16)19-21-5-13-28-19)25-6-3-15(4-7-25)24-8-10-26-11-9-24/h1-2,5,12-15H,3-4,6-11H2
InChIKeyMYUMLZOAVSKUJU-UHFFFAOYSA-N
MW413.57 g/mol
LogP3.63
Rot. Bonds4

About 4-[1-[4-(1,3-thiazol-2-yl)-5-thiophen-2-ylpyrimidin-2-yl]piperidin-4-yl]morpholine

4-[1-[4-(1,3-thiazol-2-yl)-5-thiophen-2-ylpyrimidin-2-yl]piperidin-4-yl]morpholine (PubChem CID 92571549) has the molecular formula C20H23N5OS2 and a molecular weight of 413.57 g/mol. Its IUPAC name is 4-[1-[4-(1,3-thiazol-2-yl)-5-thiophen-2-ylpyrimidin-2-yl]piperidin-4-yl]morpholine.

Molecular Properties

Compound Name4-[1-[4-(1,3-thiazol-2-yl)-5-thiophen-2-ylpyrimidin-2-yl]piperidin-4-yl]morpholine
PubChem CID92571549
Molecular FormulaC20H23N5OS2
Molecular Weight413.57 g/mol
Exact Mass413.13
IUPAC Name4-[1-[4-(1,3-thiazol-2-yl)-5-thiophen-2-ylpyrimidin-2-yl]piperidin-4-yl]morpholine
SMILESc1csc(-c2cnc(N3CCC(N4CCOCC4)CC3)nc2-c2nccs2)c1
InChIInChI=1S/C20H23N5OS2/c1-2-17(27-12-1)16-14-22-20(23-18(16)19-21-5-13-28-19)25-6-3-15(4-7-25)24-8-10-26-11-9-24/h1-2,5,12-15H,3-4,6-11H2
InChIKeyMYUMLZOAVSKUJU-UHFFFAOYSA-N
XLogP3.63
TPSA54.38 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.57
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 4-[1-[4-(1,3-thiazol-2-yl)-5-thiophen-2-ylpyrimidin-2-yl]piperidin-4-yl]morpholine with MolForge

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Related Compounds

2-(4-morpholin-4-ylpiperidin-1-yl)pyrimidin-4-amine
CID 117078995
4-(4-thiophen-2-ylpyrimidin-2-yl)morpholine
CID 66493934
(8aR)-2-(5-pyrazin-2-yl-4-thiophen-2-ylpyrimidin-2-yl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
CID 95800124
4-[5-[1-(4-chlorophenyl)tetrazol-5-yl]-4-thiophen-2-ylpyrimidin-2-yl]morpholine
CID 11836171
N-cyclopropyl-2-(4-morpholin-4-ylpiperidin-1-yl)pyrimidin-4-amine
CID 117078978
(2R,6R)-2,6-dimethyl-4-[4-(1-methylimidazol-2-yl)-5-thiophen-2-ylpyrimidin-2-yl]morpholine
CID 95803035
4-[4-(5-thiophen-2-yl-1H-pyrazol-4-yl)pyrimidin-2-yl]morpholine
CID 46961874
1-[5-(1-methylimidazol-2-yl)-4-thiophen-2-ylpyrimidin-2-yl]piperidine-4-carboxamide
CID 95801634
5-(4-morpholin-4-ylpiperidin-1-yl)pyridin-2-amine
CID 67513413
N-[4-[5-(4-chlorophenyl)-4-(1,3-thiazol-2-yl)pyrimidin-2-yl]piperazin-1-yl]sulfanyl-N-methylmethanamine
CID 143313610
2-[4-(oxan-4-yl)piperazin-1-yl]-1,3-thiazole
CID 75496874
1-(5-pyrazin-2-yl-4-thiophen-2-ylpyrimidin-2-yl)piperidin-3-ol
CID 110220030

Frequently Asked Questions

What is the IUPAC name of 4-[1-[4-(1,3-thiazol-2-yl)-5-thiophen-2-ylpyrimidin-2-yl]piperidin-4-yl]morpholine?
The IUPAC name of 4-[1-[4-(1,3-thiazol-2-yl)-5-thiophen-2-ylpyrimidin-2-yl]piperidin-4-yl]morpholine (CID 92571549) is 4-[1-[4-(1,3-thiazol-2-yl)-5-thiophen-2-ylpyrimidin-2-yl]piperidin-4-yl]morpholine.
What is the SMILES notation for 4-[1-[4-(1,3-thiazol-2-yl)-5-thiophen-2-ylpyrimidin-2-yl]piperidin-4-yl]morpholine?
The canonical SMILES for 4-[1-[4-(1,3-thiazol-2-yl)-5-thiophen-2-ylpyrimidin-2-yl]piperidin-4-yl]morpholine is c1csc(-c2cnc(N3CCC(N4CCOCC4)CC3)nc2-c2nccs2)c1.
What is the InChIKey of 4-[1-[4-(1,3-thiazol-2-yl)-5-thiophen-2-ylpyrimidin-2-yl]piperidin-4-yl]morpholine?
The InChIKey is MYUMLZOAVSKUJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5OS2/c1-2-17(27-12-1)16-14-22-20(23-18(16)19-21-5-13-28-19)25-6-3-15(4-7-25)24-8-10-26-11-9-24/h1-2,5,12-15H,3-4,6-11H2.
What are the key properties of 4-[1-[4-(1,3-thiazol-2-yl)-5-thiophen-2-ylpyrimidin-2-yl]piperidin-4-yl]morpholine?
4-[1-[4-(1,3-thiazol-2-yl)-5-thiophen-2-ylpyrimidin-2-yl]piperidin-4-yl]morpholine has a molecular weight of 413.57 g/mol, XLogP of 3.63, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[4-(1,3-thiazol-2-yl)-5-thiophen-2-ylpyrimidin-2-yl]piperidin-4-yl]morpholine is sourced from PubChem (CID 92571549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).