(3S,5R)-N-[5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]-5-methylpiperidine-3-carboxamide

C18H26N4O2S2 — CID 44563194

IUPAC(3S,5R)-N-[5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]-5-methylpiperidine-3-carboxamide
SMILESC[C@H]1CNC[C@@H](C(=O)Nc2ncc(SCc3ncc(C(C)(C)C)o3)s2)C1
InChIInChI=1S/C18H26N4O2S2/c1-11-5-12(7-19-6-11)16(23)22-17-21-9-15(26-17)25-10-14-20-8-13(24-14)18(2,3)4/h8-9,11-12,19H,5-7,10H2,1-4H3,(H,21,22,23)/t11-,12+/m1/s1
InChIKeySSMMYRQDZBSVCY-NEPJUHHUSA-N
MW394.57 g/mol
LogP3.90
Rot. Bonds5

About (3S,5R)-N-[5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]-5-methylpiperidine-3-carboxamide

(3S,5R)-N-[5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]-5-methylpiperidine-3-carboxamide (PubChem CID 44563194) has the molecular formula C18H26N4O2S2 and a molecular weight of 394.57 g/mol. Its IUPAC name is (3S,5R)-N-[5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]-5-methylpiperidine-3-carboxamide.

Molecular Properties

Compound Name(3S,5R)-N-[5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]-5-methylpiperidine-3-carboxamide
PubChem CID44563194
Molecular FormulaC18H26N4O2S2
Molecular Weight394.57 g/mol
Exact Mass394.15
IUPAC Name(3S,5R)-N-[5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]-5-methylpiperidine-3-carboxamide
SMILESC[C@H]1CNC[C@@H](C(=O)Nc2ncc(SCc3ncc(C(C)(C)C)o3)s2)C1
InChIInChI=1S/C18H26N4O2S2/c1-11-5-12(7-19-6-11)16(23)22-17-21-9-15(26-17)25-10-14-20-8-13(24-14)18(2,3)4/h8-9,11-12,19H,5-7,10H2,1-4H3,(H,21,22,23)/t11-,12+/m1/s1
InChIKeySSMMYRQDZBSVCY-NEPJUHHUSA-N
XLogP3.90
TPSA80.05 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.57
LogP ≤ 53.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Launch Full Analysis

Related Compounds

N-[5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]-5-methylpiperidine-3-carboxamide
CID 44563158
N-[5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]-1-pyrrolidin-3-ylpiperidine-4-carboxamide
CID 164531382
N-[5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]-1-methylpiperidine-4-carboxamide;ethane;molecular hydrogen
CID 170952739
N-[5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]propanamide
CID 90701484
methyl 3-[[5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]amino]-3-oxopropanoate
CID 87531460
1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-N-[5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]piperidine-4-carboxamide
CID 23560043
N-[5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]pentanamide
CID 122692246
N-[5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]-N'-hydroxyhexanediamide
CID 25226004
1-[5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]-3-(1-hydroxypropan-2-yl)urea
CID 22970811
N-[5-[(5-ethyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]piperidine-4-carboxamide
CID 89317200
N-[5-[(5-ethyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]cyclopentanecarboxamide
CID 22971369
3-amino-N-[5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]-2-phenylpropanamide
CID 87955349

Frequently Asked Questions

What is the IUPAC name of (3S,5R)-N-[5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]-5-methylpiperidine-3-carboxamide?
The IUPAC name of (3S,5R)-N-[5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]-5-methylpiperidine-3-carboxamide (CID 44563194) is (3S,5R)-N-[5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]-5-methylpiperidine-3-carboxamide.
What is the SMILES notation for (3S,5R)-N-[5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]-5-methylpiperidine-3-carboxamide?
The canonical SMILES for (3S,5R)-N-[5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]-5-methylpiperidine-3-carboxamide is C[C@H]1CNC[C@@H](C(=O)Nc2ncc(SCc3ncc(C(C)(C)C)o3)s2)C1.
What is the InChIKey of (3S,5R)-N-[5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]-5-methylpiperidine-3-carboxamide?
The InChIKey is SSMMYRQDZBSVCY-NEPJUHHUSA-N. The full InChI is InChI=1S/C18H26N4O2S2/c1-11-5-12(7-19-6-11)16(23)22-17-21-9-15(26-17)25-10-14-20-8-13(24-14)18(2,3)4/h8-9,11-12,19H,5-7,10H2,1-4H3,(H,21,22,23)/t11-,12+/m1/s1.
What are the key properties of (3S,5R)-N-[5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]-5-methylpiperidine-3-carboxamide?
(3S,5R)-N-[5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]-5-methylpiperidine-3-carboxamide has a molecular weight of 394.57 g/mol, XLogP of 3.90, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,5R)-N-[5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]-5-methylpiperidine-3-carboxamide is sourced from PubChem (CID 44563194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).