N-[5-[(5-ethyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]pyrazine-2-carboxamide

C14H13N5O2S2 — CID 22971376

IUPACN-[5-[(5-ethyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]pyrazine-2-carboxamide
SMILESCCc1cnc(CSc2cnc(NC(=O)c3cnccn3)s2)o1
InChIInChI=1S/C14H13N5O2S2/c1-2-9-5-17-11(21-9)8-22-12-7-18-14(23-12)19-13(20)10-6-15-3-4-16-10/h3-7H,2,8H2,1H3,(H,18,19,20)
InChIKeyJBYUYDOMDWCTST-UHFFFAOYSA-N
MW347.43 g/mol
LogP3.03
Rot. Bonds6

About N-[5-[(5-ethyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]pyrazine-2-carboxamide

N-[5-[(5-ethyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]pyrazine-2-carboxamide (PubChem CID 22971376) has the molecular formula C14H13N5O2S2 and a molecular weight of 347.43 g/mol. Its IUPAC name is N-[5-[(5-ethyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-[5-[(5-ethyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]pyrazine-2-carboxamide
PubChem CID22971376
Molecular FormulaC14H13N5O2S2
Molecular Weight347.43 g/mol
Exact Mass347.05
IUPAC NameN-[5-[(5-ethyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]pyrazine-2-carboxamide
SMILESCCc1cnc(CSc2cnc(NC(=O)c3cnccn3)s2)o1
InChIInChI=1S/C14H13N5O2S2/c1-2-9-5-17-11(21-9)8-22-12-7-18-14(23-12)19-13(20)10-6-15-3-4-16-10/h3-7H,2,8H2,1H3,(H,18,19,20)
InChIKeyJBYUYDOMDWCTST-UHFFFAOYSA-N
XLogP3.03
TPSA93.80 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.43
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[5-[(5-ethyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]pyrazine-2-carboxamide?
The IUPAC name of N-[5-[(5-ethyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]pyrazine-2-carboxamide (CID 22971376) is N-[5-[(5-ethyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]pyrazine-2-carboxamide.
What is the SMILES notation for N-[5-[(5-ethyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]pyrazine-2-carboxamide?
The canonical SMILES for N-[5-[(5-ethyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]pyrazine-2-carboxamide is CCc1cnc(CSc2cnc(NC(=O)c3cnccn3)s2)o1.
What is the InChIKey of N-[5-[(5-ethyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]pyrazine-2-carboxamide?
The InChIKey is JBYUYDOMDWCTST-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N5O2S2/c1-2-9-5-17-11(21-9)8-22-12-7-18-14(23-12)19-13(20)10-6-15-3-4-16-10/h3-7H,2,8H2,1H3,(H,18,19,20).
What are the key properties of N-[5-[(5-ethyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]pyrazine-2-carboxamide?
N-[5-[(5-ethyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]pyrazine-2-carboxamide has a molecular weight of 347.43 g/mol, XLogP of 3.03, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[(5-ethyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]pyrazine-2-carboxamide is sourced from PubChem (CID 22971376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).