[1-[[(3S)-1-(4-methyl-1,3-thiazole-5-carbonyl)piperidin-3-yl]methyl]triazol-4-yl]-morpholin-4-ylmethanone

C18H24N6O3S — CID 16671265

IUPAC[1-[[(3S)-1-(4-methyl-1,3-thiazole-5-carbonyl)piperidin-3-yl]methyl]triazol-4-yl]-morpholin-4-ylmethanone
SMILESCc1ncsc1C(=O)N1CCC[C@H](Cn2cc(C(=O)N3CCOCC3)nn2)C1
InChIInChI=1S/C18H24N6O3S/c1-13-16(28-12-19-13)18(26)23-4-2-3-14(9-23)10-24-11-15(20-21-24)17(25)22-5-7-27-8-6-22/h11-12,14H,2-10H2,1H3/t14-/m0/s1
InChIKeySYSFJKIFJXZFCE-AWEZNQCLSA-N
MW404.50 g/mol
LogP1.07
Rot. Bonds4

About [1-[[(3S)-1-(4-methyl-1,3-thiazole-5-carbonyl)piperidin-3-yl]methyl]triazol-4-yl]-morpholin-4-ylmethanone

[1-[[(3S)-1-(4-methyl-1,3-thiazole-5-carbonyl)piperidin-3-yl]methyl]triazol-4-yl]-morpholin-4-ylmethanone (PubChem CID 16671265) has the molecular formula C18H24N6O3S and a molecular weight of 404.50 g/mol. Its IUPAC name is [1-[[(3S)-1-(4-methyl-1,3-thiazole-5-carbonyl)piperidin-3-yl]methyl]triazol-4-yl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[1-[[(3S)-1-(4-methyl-1,3-thiazole-5-carbonyl)piperidin-3-yl]methyl]triazol-4-yl]-morpholin-4-ylmethanone
PubChem CID16671265
Molecular FormulaC18H24N6O3S
Molecular Weight404.50 g/mol
Exact Mass404.16
IUPAC Name[1-[[(3S)-1-(4-methyl-1,3-thiazole-5-carbonyl)piperidin-3-yl]methyl]triazol-4-yl]-morpholin-4-ylmethanone
SMILESCc1ncsc1C(=O)N1CCC[C@H](Cn2cc(C(=O)N3CCOCC3)nn2)C1
InChIInChI=1S/C18H24N6O3S/c1-13-16(28-12-19-13)18(26)23-4-2-3-14(9-23)10-24-11-15(20-21-24)17(25)22-5-7-27-8-6-22/h11-12,14H,2-10H2,1H3/t14-/m0/s1
InChIKeySYSFJKIFJXZFCE-AWEZNQCLSA-N
XLogP1.07
TPSA93.45 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.50
LogP ≤ 51.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

[(3R)-3-[[4-(morpholine-4-carbonyl)triazol-1-yl]methyl]piperidin-1-yl]-pyridin-4-ylmethanone
CID 46952364
[(3R)-3-[[4-(morpholine-4-carbonyl)triazol-1-yl]methyl]piperidin-1-yl]-(5-propyl-1,2-oxazol-3-yl)methanone
CID 95791836
3-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(3S)-3-[[4-(morpholine-4-carbonyl)triazol-1-yl]methyl]piperidin-1-yl]propan-1-one
CID 46950587
[3-(hydroxymethyl)piperidin-1-yl]-(4-methyl-1,3-thiazol-5-yl)methanone
CID 43589511
N,N-diethyl-1-[[1-(2-methyl-1,3-thiazole-4-carbonyl)piperidin-3-yl]methyl]triazole-4-carboxamide
CID 45234346
(4-methyl-1,3-thiazol-5-yl)-[(3R)-3-(2-phenylethyl)piperidin-1-yl]methanone
CID 42245013
1-[[(3R)-1-(imidazo[2,1-b][1,3]thiazole-6-carbonyl)piperidin-3-yl]methyl]triazole-4-carboxylic acid
CID 95211600
(4-methyl-1,3-thiazol-5-yl)-[4-(6-morpholin-4-ylpyridazin-3-yl)piperazin-1-yl]methanone
CID 122335319
[(3S)-3-[(4-methyl-1H-pyrazol-5-yl)methyl]piperidin-1-yl]-(4-methyl-1,3-thiazol-5-yl)methanone
CID 124961599
[3-[(4-bromopyrazol-1-yl)methyl]azetidin-1-yl]-(4-methyl-1,3-thiazol-5-yl)methanone
CID 146074883
[(3R)-3-[2-(2,6-difluorophenyl)ethyl]piperidin-1-yl]-(4-methyl-1,3-thiazol-5-yl)methanone
CID 42564796
1-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-3-yl]methyl]triazole-4-carboxylic acid
CID 75260817

Frequently Asked Questions

What is the IUPAC name of [1-[[(3S)-1-(4-methyl-1,3-thiazole-5-carbonyl)piperidin-3-yl]methyl]triazol-4-yl]-morpholin-4-ylmethanone?
The IUPAC name of [1-[[(3S)-1-(4-methyl-1,3-thiazole-5-carbonyl)piperidin-3-yl]methyl]triazol-4-yl]-morpholin-4-ylmethanone (CID 16671265) is [1-[[(3S)-1-(4-methyl-1,3-thiazole-5-carbonyl)piperidin-3-yl]methyl]triazol-4-yl]-morpholin-4-ylmethanone.
What is the SMILES notation for [1-[[(3S)-1-(4-methyl-1,3-thiazole-5-carbonyl)piperidin-3-yl]methyl]triazol-4-yl]-morpholin-4-ylmethanone?
The canonical SMILES for [1-[[(3S)-1-(4-methyl-1,3-thiazole-5-carbonyl)piperidin-3-yl]methyl]triazol-4-yl]-morpholin-4-ylmethanone is Cc1ncsc1C(=O)N1CCC[C@H](Cn2cc(C(=O)N3CCOCC3)nn2)C1.
What is the InChIKey of [1-[[(3S)-1-(4-methyl-1,3-thiazole-5-carbonyl)piperidin-3-yl]methyl]triazol-4-yl]-morpholin-4-ylmethanone?
The InChIKey is SYSFJKIFJXZFCE-AWEZNQCLSA-N. The full InChI is InChI=1S/C18H24N6O3S/c1-13-16(28-12-19-13)18(26)23-4-2-3-14(9-23)10-24-11-15(20-21-24)17(25)22-5-7-27-8-6-22/h11-12,14H,2-10H2,1H3/t14-/m0/s1.
What are the key properties of [1-[[(3S)-1-(4-methyl-1,3-thiazole-5-carbonyl)piperidin-3-yl]methyl]triazol-4-yl]-morpholin-4-ylmethanone?
[1-[[(3S)-1-(4-methyl-1,3-thiazole-5-carbonyl)piperidin-3-yl]methyl]triazol-4-yl]-morpholin-4-ylmethanone has a molecular weight of 404.50 g/mol, XLogP of 1.07, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[[(3S)-1-(4-methyl-1,3-thiazole-5-carbonyl)piperidin-3-yl]methyl]triazol-4-yl]-morpholin-4-ylmethanone is sourced from PubChem (CID 16671265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).