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

C18H20N4O2S2 — CID 5329722

IUPACN-[5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]-2-pyridin-3-ylacetamide
SMILESCC(C)(C)c1cnc(CSc2cnc(NC(=O)Cc3cccnc3)s2)o1
InChIInChI=1S/C18H20N4O2S2/c1-18(2,3)13-9-20-15(24-13)11-25-16-10-21-17(26-16)22-14(23)7-12-5-4-6-19-8-12/h4-6,8-10H,7,11H2,1-3H3,(H,21,22,23)
InChIKeyVBDQMJNIWDFAKI-UHFFFAOYSA-N
MW388.52 g/mol
LogP4.30
Rot. Bonds6

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

N-[5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]-2-pyridin-3-ylacetamide (PubChem CID 5329722) has the molecular formula C18H20N4O2S2 and a molecular weight of 388.52 g/mol. Its IUPAC name is N-[5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]-2-pyridin-3-ylacetamide.

Molecular Properties

Compound NameN-[5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]-2-pyridin-3-ylacetamide
PubChem CID5329722
Molecular FormulaC18H20N4O2S2
Molecular Weight388.52 g/mol
Exact Mass388.10
IUPAC NameN-[5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]-2-pyridin-3-ylacetamide
SMILESCC(C)(C)c1cnc(CSc2cnc(NC(=O)Cc3cccnc3)s2)o1
InChIInChI=1S/C18H20N4O2S2/c1-18(2,3)13-9-20-15(24-13)11-25-16-10-21-17(26-16)22-14(23)7-12-5-4-6-19-8-12/h4-6,8-10H,7,11H2,1-3H3,(H,21,22,23)
InChIKeyVBDQMJNIWDFAKI-UHFFFAOYSA-N
XLogP4.30
TPSA80.91 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.52
LogP ≤ 54.30
H-Bond Donors ≤ 51
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]-2-pyridin-3-ylacetamide?
The IUPAC name of N-[5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]-2-pyridin-3-ylacetamide (CID 5329722) is N-[5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]-2-pyridin-3-ylacetamide.
What is the SMILES notation for N-[5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]-2-pyridin-3-ylacetamide?
The canonical SMILES for N-[5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]-2-pyridin-3-ylacetamide is CC(C)(C)c1cnc(CSc2cnc(NC(=O)Cc3cccnc3)s2)o1.
What is the InChIKey of N-[5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]-2-pyridin-3-ylacetamide?
The InChIKey is VBDQMJNIWDFAKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O2S2/c1-18(2,3)13-9-20-15(24-13)11-25-16-10-21-17(26-16)22-14(23)7-12-5-4-6-19-8-12/h4-6,8-10H,7,11H2,1-3H3,(H,21,22,23).
What are the key properties of N-[5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]-2-pyridin-3-ylacetamide?
N-[5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]-2-pyridin-3-ylacetamide has a molecular weight of 388.52 g/mol, XLogP of 4.30, 6 rotatable bonds, 1 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]-2-pyridin-3-ylacetamide is sourced from PubChem (CID 5329722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).