N-[[2-(3-hydroxypiperidin-1-yl)-3-pyridinyl]methyl]-2-propan-2-yl-1,3-thiazole-4-carboxamide

C18H24N4O2S — CID 45184288

IUPACN-[[2-(3-hydroxypiperidin-1-yl)-3-pyridinyl]methyl]-2-propan-2-yl-1,3-thiazole-4-carboxamide
SMILESCC(C)c1nc(C(=O)NCc2cccnc2N2CCCC(O)C2)cs1
InChIInChI=1S/C18H24N4O2S/c1-12(2)18-21-15(11-25-18)17(24)20-9-13-5-3-7-19-16(13)22-8-4-6-14(23)10-22/h3,5,7,11-12,14,23H,4,6,8-10H2,1-2H3,(H,20,24)
InChIKeyHJOMNTOJHIPWIB-UHFFFAOYSA-N
MW360.48 g/mol
LogP2.55
Rot. Bonds5

About N-[[2-(3-hydroxypiperidin-1-yl)-3-pyridinyl]methyl]-2-propan-2-yl-1,3-thiazole-4-carboxamide

N-[[2-(3-hydroxypiperidin-1-yl)-3-pyridinyl]methyl]-2-propan-2-yl-1,3-thiazole-4-carboxamide (PubChem CID 45184288) has the molecular formula C18H24N4O2S and a molecular weight of 360.48 g/mol. Its IUPAC name is N-[[2-(3-hydroxypiperidin-1-yl)-3-pyridinyl]methyl]-2-propan-2-yl-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-[[2-(3-hydroxypiperidin-1-yl)-3-pyridinyl]methyl]-2-propan-2-yl-1,3-thiazole-4-carboxamide
PubChem CID45184288
Molecular FormulaC18H24N4O2S
Molecular Weight360.48 g/mol
Exact Mass360.16
IUPAC NameN-[[2-(3-hydroxypiperidin-1-yl)-3-pyridinyl]methyl]-2-propan-2-yl-1,3-thiazole-4-carboxamide
SMILESCC(C)c1nc(C(=O)NCc2cccnc2N2CCCC(O)C2)cs1
InChIInChI=1S/C18H24N4O2S/c1-12(2)18-21-15(11-25-18)17(24)20-9-13-5-3-7-19-16(13)22-8-4-6-14(23)10-22/h3,5,7,11-12,14,23H,4,6,8-10H2,1-2H3,(H,20,24)
InChIKeyHJOMNTOJHIPWIB-UHFFFAOYSA-N
XLogP2.55
TPSA78.35 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.48
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[[2-(3-hydroxypiperidin-1-yl)-3-pyridinyl]methyl]-2-propan-2-yl-1,3-thiazole-4-carboxamide with MolForge

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Related Compounds

N-[[2-(3-hydroxypiperidin-1-yl)-3-pyridinyl]methyl]-4-methyl-2-propan-2-ylpyrimidine-5-carboxamide
CID 56750620
N-[[2-[(3R)-3-hydroxypiperidin-1-yl]-3-pyridinyl]methyl]-4-methyl-2-propan-2-ylpyrimidine-5-carboxamide
CID 95204100
N-[[2-[(3S)-3-hydroxypiperidin-1-yl]-3-pyridinyl]methyl]-5-methyl-1H-pyrazole-3-carboxamide
CID 95191432
N-[[2-[(3R)-3-hydroxypiperidin-1-yl]-3-pyridinyl]methyl]-2-methylfuran-3-carboxamide
CID 42147241
N-[[2-(3-hydroxypiperidin-1-yl)-3-pyridinyl]methyl]-2-methylfuran-3-carboxamide
CID 45252804
N-[[2-[(3S)-3-hydroxypiperidin-1-yl]-3-pyridinyl]methyl]-4H-thieno[3,2-b]pyrrole-5-carboxamide
CID 42305622
2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[[2-(3-hydroxypiperidin-1-yl)-3-pyridinyl]methyl]acetamide
CID 45232066
N-[[2-[(3S)-3-hydroxypiperidin-1-yl]-3-pyridinyl]methyl]-3,6-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 95227914
3-(3,5-dimethylphenyl)-N-[[2-(3-hydroxypiperidin-1-yl)-3-pyridinyl]methyl]propanamide
CID 45206257
N-[[2-(3-hydroxypiperidin-1-yl)-3-pyridinyl]methyl]-4-phenyl-1H-imidazole-5-carboxamide
CID 56745363
1-[3-[[(6-propan-2-ylpyridazin-3-yl)amino]methyl]-2-pyridinyl]piperidin-3-ol
CID 56738805
N-[[2-[(dimethylamino)methyl]phenyl]methyl]-2-propan-2-yl-1,3-thiazole-4-carboxamide
CID 129396870

Frequently Asked Questions

What is the IUPAC name of N-[[2-(3-hydroxypiperidin-1-yl)-3-pyridinyl]methyl]-2-propan-2-yl-1,3-thiazole-4-carboxamide?
The IUPAC name of N-[[2-(3-hydroxypiperidin-1-yl)-3-pyridinyl]methyl]-2-propan-2-yl-1,3-thiazole-4-carboxamide (CID 45184288) is N-[[2-(3-hydroxypiperidin-1-yl)-3-pyridinyl]methyl]-2-propan-2-yl-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-[[2-(3-hydroxypiperidin-1-yl)-3-pyridinyl]methyl]-2-propan-2-yl-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-[[2-(3-hydroxypiperidin-1-yl)-3-pyridinyl]methyl]-2-propan-2-yl-1,3-thiazole-4-carboxamide is CC(C)c1nc(C(=O)NCc2cccnc2N2CCCC(O)C2)cs1.
What is the InChIKey of N-[[2-(3-hydroxypiperidin-1-yl)-3-pyridinyl]methyl]-2-propan-2-yl-1,3-thiazole-4-carboxamide?
The InChIKey is HJOMNTOJHIPWIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O2S/c1-12(2)18-21-15(11-25-18)17(24)20-9-13-5-3-7-19-16(13)22-8-4-6-14(23)10-22/h3,5,7,11-12,14,23H,4,6,8-10H2,1-2H3,(H,20,24).
What are the key properties of N-[[2-(3-hydroxypiperidin-1-yl)-3-pyridinyl]methyl]-2-propan-2-yl-1,3-thiazole-4-carboxamide?
N-[[2-(3-hydroxypiperidin-1-yl)-3-pyridinyl]methyl]-2-propan-2-yl-1,3-thiazole-4-carboxamide has a molecular weight of 360.48 g/mol, XLogP of 2.55, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(3-hydroxypiperidin-1-yl)-3-pyridinyl]methyl]-2-propan-2-yl-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 45184288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).