N-[5-[(5-tert-butyl-2,3-dihydro-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]-1-propan-2-ylpiperidine-4-carboxamide

C20H32N4O2S2 — CID 167107961

IUPACN-[5-[(5-tert-butyl-2,3-dihydro-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]-1-propan-2-ylpiperidine-4-carboxamide
SMILESCC(C)N1CCC(C(=O)Nc2ncc(SCC3NC=C(C(C)(C)C)O3)s2)CC1
InChIInChI=1S/C20H32N4O2S2/c1-13(2)24-8-6-14(7-9-24)18(25)23-19-22-11-17(28-19)27-12-16-21-10-15(26-16)20(3,4)5/h10-11,13-14,16,21H,6-9,12H2,1-5H3,(H,22,23,25)
InChIKeyKRIAUOROLDOYPV-UHFFFAOYSA-N
MW424.64 g/mol
LogP4.13
Rot. Bonds6

About N-[5-[(5-tert-butyl-2,3-dihydro-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]-1-propan-2-ylpiperidine-4-carboxamide

N-[5-[(5-tert-butyl-2,3-dihydro-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]-1-propan-2-ylpiperidine-4-carboxamide (PubChem CID 167107961) has the molecular formula C20H32N4O2S2 and a molecular weight of 424.64 g/mol. Its IUPAC name is N-[5-[(5-tert-butyl-2,3-dihydro-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]-1-propan-2-ylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-[5-[(5-tert-butyl-2,3-dihydro-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]-1-propan-2-ylpiperidine-4-carboxamide
PubChem CID167107961
Molecular FormulaC20H32N4O2S2
Molecular Weight424.64 g/mol
Exact Mass424.20
IUPAC NameN-[5-[(5-tert-butyl-2,3-dihydro-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]-1-propan-2-ylpiperidine-4-carboxamide
SMILESCC(C)N1CCC(C(=O)Nc2ncc(SCC3NC=C(C(C)(C)C)O3)s2)CC1
InChIInChI=1S/C20H32N4O2S2/c1-13(2)24-8-6-14(7-9-24)18(25)23-19-22-11-17(28-19)27-12-16-21-10-15(26-16)20(3,4)5/h10-11,13-14,16,21H,6-9,12H2,1-5H3,(H,22,23,25)
InChIKeyKRIAUOROLDOYPV-UHFFFAOYSA-N
XLogP4.13
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.64
LogP ≤ 54.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[5-[(5-tert-butyl-2,3-dihydro-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]-1-propan-2-ylpiperidine-4-carboxamide?
The IUPAC name of N-[5-[(5-tert-butyl-2,3-dihydro-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]-1-propan-2-ylpiperidine-4-carboxamide (CID 167107961) is N-[5-[(5-tert-butyl-2,3-dihydro-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]-1-propan-2-ylpiperidine-4-carboxamide.
What is the SMILES notation for N-[5-[(5-tert-butyl-2,3-dihydro-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]-1-propan-2-ylpiperidine-4-carboxamide?
The canonical SMILES for N-[5-[(5-tert-butyl-2,3-dihydro-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]-1-propan-2-ylpiperidine-4-carboxamide is CC(C)N1CCC(C(=O)Nc2ncc(SCC3NC=C(C(C)(C)C)O3)s2)CC1.
What is the InChIKey of N-[5-[(5-tert-butyl-2,3-dihydro-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]-1-propan-2-ylpiperidine-4-carboxamide?
The InChIKey is KRIAUOROLDOYPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32N4O2S2/c1-13(2)24-8-6-14(7-9-24)18(25)23-19-22-11-17(28-19)27-12-16-21-10-15(26-16)20(3,4)5/h10-11,13-14,16,21H,6-9,12H2,1-5H3,(H,22,23,25).
What are the key properties of N-[5-[(5-tert-butyl-2,3-dihydro-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]-1-propan-2-ylpiperidine-4-carboxamide?
N-[5-[(5-tert-butyl-2,3-dihydro-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]-1-propan-2-ylpiperidine-4-carboxamide has a molecular weight of 424.64 g/mol, XLogP of 4.13, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[(5-tert-butyl-2,3-dihydro-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]-1-propan-2-ylpiperidine-4-carboxamide is sourced from PubChem (CID 167107961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).