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

C16H22N4O2S2 — CID 5329920

IUPACN-[5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]pyrrolidine-2-carboxamide
SMILESCC(C)(C)c1cnc(CSc2cnc(NC(=O)C3CCCN3)s2)o1
InChIInChI=1S/C16H22N4O2S2/c1-16(2,3)11-7-18-12(22-11)9-23-13-8-19-15(24-13)20-14(21)10-5-4-6-17-10/h7-8,10,17H,4-6,9H2,1-3H3,(H,19,20,21)
InChIKeyZXQJQEFTGODWHP-UHFFFAOYSA-N
MW366.51 g/mol
LogP3.41
Rot. Bonds5

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

N-[5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]pyrrolidine-2-carboxamide (PubChem CID 5329920) has the molecular formula C16H22N4O2S2 and a molecular weight of 366.51 g/mol. Its IUPAC name is N-[5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-[5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]pyrrolidine-2-carboxamide
PubChem CID5329920
Molecular FormulaC16H22N4O2S2
Molecular Weight366.51 g/mol
Exact Mass366.12
IUPAC NameN-[5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]pyrrolidine-2-carboxamide
SMILESCC(C)(C)c1cnc(CSc2cnc(NC(=O)C3CCCN3)s2)o1
InChIInChI=1S/C16H22N4O2S2/c1-16(2,3)11-7-18-12(22-11)9-23-13-8-19-15(24-13)20-14(21)10-5-4-6-17-10/h7-8,10,17H,4-6,9H2,1-3H3,(H,19,20,21)
InChIKeyZXQJQEFTGODWHP-UHFFFAOYSA-N
XLogP3.41
TPSA80.05 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.51
LogP ≤ 53.41
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-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]pyrrolidine-2-carboxamide?
The IUPAC name of N-[5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]pyrrolidine-2-carboxamide (CID 5329920) is N-[5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]pyrrolidine-2-carboxamide.
What is the SMILES notation for N-[5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]pyrrolidine-2-carboxamide?
The canonical SMILES for N-[5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]pyrrolidine-2-carboxamide is CC(C)(C)c1cnc(CSc2cnc(NC(=O)C3CCCN3)s2)o1.
What is the InChIKey of N-[5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]pyrrolidine-2-carboxamide?
The InChIKey is ZXQJQEFTGODWHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O2S2/c1-16(2,3)11-7-18-12(22-11)9-23-13-8-19-15(24-13)20-14(21)10-5-4-6-17-10/h7-8,10,17H,4-6,9H2,1-3H3,(H,19,20,21).
What are the key properties of N-[5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]pyrrolidine-2-carboxamide?
N-[5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]pyrrolidine-2-carboxamide has a molecular weight of 366.51 g/mol, XLogP of 3.41, 5 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-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 5329920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).