N-[5-[[(3S)-3-[(2,6-dimethyl-4-pyridinyl)oxy]piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide;sulfane

C18H26N4O2S2 — CID 160933841

IUPACN-[5-[[(3S)-3-[(2,6-dimethyl-4-pyridinyl)oxy]piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide;sulfane
SMILESCC(=O)Nc1ncc(CN2CCC[C@H](Oc3cc(C)nc(C)c3)C2)s1.S
InChIInChI=1S/C18H24N4O2S.H2S/c1-12-7-16(8-13(2)20-12)24-15-5-4-6-22(10-15)11-17-9-19-18(25-17)21-14(3)23;/h7-9,15H,4-6,10-11H2,1-3H3,(H,19,21,23);1H2/t15-;/m0./s1
InChIKeySTPRTGPVTJRDDC-RSAXXLAASA-N
MW394.57 g/mol
LogP3.27
Rot. Bonds5

About N-[5-[[(3S)-3-[(2,6-dimethyl-4-pyridinyl)oxy]piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide;sulfane

N-[5-[[(3S)-3-[(2,6-dimethyl-4-pyridinyl)oxy]piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide;sulfane (PubChem CID 160933841) has the molecular formula C18H26N4O2S2 and a molecular weight of 394.57 g/mol. Its IUPAC name is N-[5-[[(3S)-3-[(2,6-dimethyl-4-pyridinyl)oxy]piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide;sulfane.

Molecular Properties

Compound NameN-[5-[[(3S)-3-[(2,6-dimethyl-4-pyridinyl)oxy]piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide;sulfane
PubChem CID160933841
Molecular FormulaC18H26N4O2S2
Molecular Weight394.57 g/mol
Exact Mass394.15
IUPAC NameN-[5-[[(3S)-3-[(2,6-dimethyl-4-pyridinyl)oxy]piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide;sulfane
SMILESCC(=O)Nc1ncc(CN2CCC[C@H](Oc3cc(C)nc(C)c3)C2)s1.S
InChIInChI=1S/C18H24N4O2S.H2S/c1-12-7-16(8-13(2)20-12)24-15-5-4-6-22(10-15)11-17-9-19-18(25-17)21-14(3)23;/h7-9,15H,4-6,10-11H2,1-3H3,(H,19,21,23);1H2/t15-;/m0./s1
InChIKeySTPRTGPVTJRDDC-RSAXXLAASA-N
XLogP3.27
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.57
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[5-[[3-[(2,6-dimethyl-4-pyridinyl)methoxy]pyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide
CID 135135119
N-[5-[[3-[(5-fluoro-2-pyridinyl)oxy]piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide
CID 162769248
N-[5-[[(3R)-3-[(2,6-dimethylpyrimidin-4-yl)methyl]piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide
CID 135135074
N-[5-[[3-[(2,6-dimethyl-4-pyridinyl)methoxy]azetidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide
CID 155103918
N-[5-[[3-[(2-ethoxy-6-methyl-4-pyridinyl)methyl]pyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide;sulfane
CID 157485346
N-[5-[[3-[(5-methylpyrazolo[1,5-a]pyrimidin-7-yl)methyl]piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide
CID 142415601
N-[5-[[(6R)-6-[(2,6-dimethyl-4-pyridinyl)methyl]-1,4-oxazepan-4-yl]methyl]-1,3-thiazol-2-yl]acetamide
CID 146629115
N-[5-[[(3S)-3-(1H-pyrrolo[3,2-b]pyridin-6-yl)piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide
CID 142415432
1-[(2-acetamido-1,3-thiazol-5-yl)methyl]-N-cyclohexylpiperidine-3-carboxamide
CID 163368407
N-[5-[[3-[(2-ethyl-6-methyl-4-pyridinyl)methyl]pyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide
CID 135135117
N-[5-[[3-(6-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide
CID 142415604
N-[5-[[(2S,3R)-3-[(2,6-dimethyl-4-pyridinyl)methyl]-2-methylpiperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide
CID 135135240

Frequently Asked Questions

What is the IUPAC name of N-[5-[[(3S)-3-[(2,6-dimethyl-4-pyridinyl)oxy]piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide;sulfane?
The IUPAC name of N-[5-[[(3S)-3-[(2,6-dimethyl-4-pyridinyl)oxy]piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide;sulfane (CID 160933841) is N-[5-[[(3S)-3-[(2,6-dimethyl-4-pyridinyl)oxy]piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide;sulfane.
What is the SMILES notation for N-[5-[[(3S)-3-[(2,6-dimethyl-4-pyridinyl)oxy]piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide;sulfane?
The canonical SMILES for N-[5-[[(3S)-3-[(2,6-dimethyl-4-pyridinyl)oxy]piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide;sulfane is CC(=O)Nc1ncc(CN2CCC[C@H](Oc3cc(C)nc(C)c3)C2)s1.S.
What is the InChIKey of N-[5-[[(3S)-3-[(2,6-dimethyl-4-pyridinyl)oxy]piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide;sulfane?
The InChIKey is STPRTGPVTJRDDC-RSAXXLAASA-N. The full InChI is InChI=1S/C18H24N4O2S.H2S/c1-12-7-16(8-13(2)20-12)24-15-5-4-6-22(10-15)11-17-9-19-18(25-17)21-14(3)23;/h7-9,15H,4-6,10-11H2,1-3H3,(H,19,21,23);1H2/t15-;/m0./s1.
What are the key properties of N-[5-[[(3S)-3-[(2,6-dimethyl-4-pyridinyl)oxy]piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide;sulfane?
N-[5-[[(3S)-3-[(2,6-dimethyl-4-pyridinyl)oxy]piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide;sulfane has a molecular weight of 394.57 g/mol, XLogP of 3.27, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[[(3S)-3-[(2,6-dimethyl-4-pyridinyl)oxy]piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide;sulfane is sourced from PubChem (CID 160933841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).