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

C18H24N6O2S — CID 126769937

IUPAC3-methyl-N-[1-(6-morpholin-4-ylpyrimidin-4-yl)piperidin-3-yl]-1,2-thiazole-4-carboxamide
SMILESCc1nscc1C(=O)NC1CCCN(c2cc(N3CCOCC3)ncn2)C1
InChIInChI=1S/C18H24N6O2S/c1-13-15(11-27-22-13)18(25)21-14-3-2-4-24(10-14)17-9-16(19-12-20-17)23-5-7-26-8-6-23/h9,11-12,14H,2-8,10H2,1H3,(H,21,25)
InChIKeyQXHHLUKPQISKPM-UHFFFAOYSA-N
MW388.50 g/mol
LogP1.48
Rot. Bonds4

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

3-methyl-N-[1-(6-morpholin-4-ylpyrimidin-4-yl)piperidin-3-yl]-1,2-thiazole-4-carboxamide (PubChem CID 126769937) has the molecular formula C18H24N6O2S and a molecular weight of 388.50 g/mol. Its IUPAC name is 3-methyl-N-[1-(6-morpholin-4-ylpyrimidin-4-yl)piperidin-3-yl]-1,2-thiazole-4-carboxamide.

Molecular Properties

Compound Name3-methyl-N-[1-(6-morpholin-4-ylpyrimidin-4-yl)piperidin-3-yl]-1,2-thiazole-4-carboxamide
PubChem CID126769937
Molecular FormulaC18H24N6O2S
Molecular Weight388.50 g/mol
Exact Mass388.17
IUPAC Name3-methyl-N-[1-(6-morpholin-4-ylpyrimidin-4-yl)piperidin-3-yl]-1,2-thiazole-4-carboxamide
SMILESCc1nscc1C(=O)NC1CCCN(c2cc(N3CCOCC3)ncn2)C1
InChIInChI=1S/C18H24N6O2S/c1-13-15(11-27-22-13)18(25)21-14-3-2-4-24(10-14)17-9-16(19-12-20-17)23-5-7-26-8-6-23/h9,11-12,14H,2-8,10H2,1H3,(H,21,25)
InChIKeyQXHHLUKPQISKPM-UHFFFAOYSA-N
XLogP1.48
TPSA83.48 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.50
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 3-methyl-N-[1-(6-morpholin-4-ylpyrimidin-4-yl)piperidin-3-yl]-1,2-thiazole-4-carboxamide with MolForge

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Related Compounds

1-[1-(6-morpholin-4-ylpyrimidin-4-yl)piperidin-3-yl]-3-thiophen-3-ylurea
CID 126777315
3-methyl-N-[(3S)-1-(2-oxo-1H-pyrazin-3-yl)piperidin-3-yl]-1,2-thiazole-4-carboxamide
CID 129476907
2-(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)-N-[1-(6-morpholin-4-ylpyrimidin-4-yl)piperidin-3-yl]acetamide
CID 154849852
5-[[1-(6-morpholin-4-ylpyrimidin-4-yl)piperidin-3-yl]amino]pyrazine-2-carboxylic acid
CID 122048024
(3S)-1-(6-morpholin-4-ylpyrimidin-4-yl)-N-phenylpiperidin-3-amine
CID 171084156
3-(3-but-3-ynyldiazirin-3-yl)-N-[1-(6-morpholin-4-ylpyrimidin-4-yl)piperidin-3-yl]propanamide
CID 166409269
2-ethoxy-N-[1-(6-pyrrolidin-1-ylpyrimidin-4-yl)piperidin-3-yl]acetamide
CID 53185796
N-[(3S)-1-[6-(dimethylamino)pyrimidin-4-yl]piperidin-3-yl]-2-fluorobenzamide
CID 95107883
1,5-dimethyl-N-[3-(6-morpholin-4-ylpyrimidin-4-yl)cyclobutyl]pyrazole-4-carboxamide
CID 91764304
(4-methylpyrimidin-5-yl)-[(3R)-3-(6-morpholin-4-ylpyrimidin-4-yl)piperidin-1-yl]methanone
CID 95867216
1-[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]-N-(6-morpholin-4-ylpyrimidin-4-yl)piperidine-3-carboxamide
CID 90544363
(3R)-N-[(3S)-1-(6-ethylpyrimidin-4-yl)piperidin-3-yl]-3-methylmorpholine-4-carboxamide
CID 124721716

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[1-(6-morpholin-4-ylpyrimidin-4-yl)piperidin-3-yl]-1,2-thiazole-4-carboxamide?
The IUPAC name of 3-methyl-N-[1-(6-morpholin-4-ylpyrimidin-4-yl)piperidin-3-yl]-1,2-thiazole-4-carboxamide (CID 126769937) is 3-methyl-N-[1-(6-morpholin-4-ylpyrimidin-4-yl)piperidin-3-yl]-1,2-thiazole-4-carboxamide.
What is the SMILES notation for 3-methyl-N-[1-(6-morpholin-4-ylpyrimidin-4-yl)piperidin-3-yl]-1,2-thiazole-4-carboxamide?
The canonical SMILES for 3-methyl-N-[1-(6-morpholin-4-ylpyrimidin-4-yl)piperidin-3-yl]-1,2-thiazole-4-carboxamide is Cc1nscc1C(=O)NC1CCCN(c2cc(N3CCOCC3)ncn2)C1.
What is the InChIKey of 3-methyl-N-[1-(6-morpholin-4-ylpyrimidin-4-yl)piperidin-3-yl]-1,2-thiazole-4-carboxamide?
The InChIKey is QXHHLUKPQISKPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N6O2S/c1-13-15(11-27-22-13)18(25)21-14-3-2-4-24(10-14)17-9-16(19-12-20-17)23-5-7-26-8-6-23/h9,11-12,14H,2-8,10H2,1H3,(H,21,25).
What are the key properties of 3-methyl-N-[1-(6-morpholin-4-ylpyrimidin-4-yl)piperidin-3-yl]-1,2-thiazole-4-carboxamide?
3-methyl-N-[1-(6-morpholin-4-ylpyrimidin-4-yl)piperidin-3-yl]-1,2-thiazole-4-carboxamide has a molecular weight of 388.50 g/mol, XLogP of 1.48, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[1-(6-morpholin-4-ylpyrimidin-4-yl)piperidin-3-yl]-1,2-thiazole-4-carboxamide is sourced from PubChem (CID 126769937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).