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

C17H24N4O2S2 — CID 139972000

IUPAC(3S)-1-[5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]piperidine-3-carboxamide
SMILESCC(C)(C)c1cnc(CSc2cnc(N3CCC[C@H](C(N)=O)C3)s2)o1
InChIInChI=1S/C17H24N4O2S2/c1-17(2,3)12-7-19-13(23-12)10-24-14-8-20-16(25-14)21-6-4-5-11(9-21)15(18)22/h7-8,11H,4-6,9-10H2,1-3H3,(H2,18,22)/t11-/m0/s1
InChIKeyMCZIVFUGHGHQQM-NSHDSACASA-N
MW380.54 g/mol
LogP3.42
Rot. Bonds5

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

(3S)-1-[5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]piperidine-3-carboxamide (PubChem CID 139972000) has the molecular formula C17H24N4O2S2 and a molecular weight of 380.54 g/mol. Its IUPAC name is (3S)-1-[5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]piperidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-1-[5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]piperidine-3-carboxamide
PubChem CID139972000
Molecular FormulaC17H24N4O2S2
Molecular Weight380.54 g/mol
Exact Mass380.13
IUPAC Name(3S)-1-[5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]piperidine-3-carboxamide
SMILESCC(C)(C)c1cnc(CSc2cnc(N3CCC[C@H](C(N)=O)C3)s2)o1
InChIInChI=1S/C17H24N4O2S2/c1-17(2,3)12-7-19-13(23-12)10-24-14-8-20-16(25-14)21-6-4-5-11(9-21)15(18)22/h7-8,11H,4-6,9-10H2,1-3H3,(H2,18,22)/t11-/m0/s1
InChIKeyMCZIVFUGHGHQQM-NSHDSACASA-N
XLogP3.42
TPSA85.25 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.54
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of (3S)-1-[5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]piperidine-3-carboxamide?
The IUPAC name of (3S)-1-[5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]piperidine-3-carboxamide (CID 139972000) is (3S)-1-[5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]piperidine-3-carboxamide.
What is the SMILES notation for (3S)-1-[5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]piperidine-3-carboxamide?
The canonical SMILES for (3S)-1-[5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]piperidine-3-carboxamide is CC(C)(C)c1cnc(CSc2cnc(N3CCC[C@H](C(N)=O)C3)s2)o1.
What is the InChIKey of (3S)-1-[5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]piperidine-3-carboxamide?
The InChIKey is MCZIVFUGHGHQQM-NSHDSACASA-N. The full InChI is InChI=1S/C17H24N4O2S2/c1-17(2,3)12-7-19-13(23-12)10-24-14-8-20-16(25-14)21-6-4-5-11(9-21)15(18)22/h7-8,11H,4-6,9-10H2,1-3H3,(H2,18,22)/t11-/m0/s1.
What are the key properties of (3S)-1-[5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]piperidine-3-carboxamide?
(3S)-1-[5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]piperidine-3-carboxamide has a molecular weight of 380.54 g/mol, XLogP of 3.42, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-[5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]piperidine-3-carboxamide is sourced from PubChem (CID 139972000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).