1-[6-(5-acetylthiophen-2-yl)pyrido[2,3-b]pyrazin-3-yl]-3-ethylthiourea

C16H15N5OS2 — CID 25151897

IUPAC1-[6-(5-acetylthiophen-2-yl)pyrido[2,3-b]pyrazin-3-yl]-3-ethylthiourea
SMILESCCNC(=S)Nc1cnc2ccc(-c3ccc(C(C)=O)s3)nc2n1
InChIInChI=1S/C16H15N5OS2/c1-3-17-16(23)21-14-8-18-11-5-4-10(19-15(11)20-14)13-7-6-12(24-13)9(2)22/h4-8H,3H2,1-2H3,(H2,17,19,20,21,23)
InChIKeyJYIBPERZVFEBCQ-UHFFFAOYSA-N
MW357.46 g/mol
LogP3.26
Rot. Bonds4

About 1-[6-(5-acetylthiophen-2-yl)pyrido[2,3-b]pyrazin-3-yl]-3-ethylthiourea

1-[6-(5-acetylthiophen-2-yl)pyrido[2,3-b]pyrazin-3-yl]-3-ethylthiourea (PubChem CID 25151897) has the molecular formula C16H15N5OS2 and a molecular weight of 357.46 g/mol. Its IUPAC name is 1-[6-(5-acetylthiophen-2-yl)pyrido[2,3-b]pyrazin-3-yl]-3-ethylthiourea.

Molecular Properties

Compound Name1-[6-(5-acetylthiophen-2-yl)pyrido[2,3-b]pyrazin-3-yl]-3-ethylthiourea
PubChem CID25151897
Molecular FormulaC16H15N5OS2
Molecular Weight357.46 g/mol
Exact Mass357.07
IUPAC Name1-[6-(5-acetylthiophen-2-yl)pyrido[2,3-b]pyrazin-3-yl]-3-ethylthiourea
SMILESCCNC(=S)Nc1cnc2ccc(-c3ccc(C(C)=O)s3)nc2n1
InChIInChI=1S/C16H15N5OS2/c1-3-17-16(23)21-14-8-18-11-5-4-10(19-15(11)20-14)13-7-6-12(24-13)9(2)22/h4-8H,3H2,1-2H3,(H2,17,19,20,21,23)
InChIKeyJYIBPERZVFEBCQ-UHFFFAOYSA-N
XLogP3.26
TPSA79.80 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.46
LogP ≤ 53.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

CID 58881823
CID 58881823
CID 172433523
CID 172433523
CID 172433831
CID 172433831
CID 172434163
CID 172434163
CID 172434333
CID 172434333
CID 172436598
CID 172436598
CID 172437411
CID 172437411
CID 172437595
CID 172437595
CID 172438217
CID 172438217
CID 6482712
CID 6482712
CID 53143729
CID 53143729
CID 69553034
CID 69553034

Frequently Asked Questions

What is the IUPAC name of 1-[6-(5-acetylthiophen-2-yl)pyrido[2,3-b]pyrazin-3-yl]-3-ethylthiourea?
The IUPAC name of 1-[6-(5-acetylthiophen-2-yl)pyrido[2,3-b]pyrazin-3-yl]-3-ethylthiourea (CID 25151897) is 1-[6-(5-acetylthiophen-2-yl)pyrido[2,3-b]pyrazin-3-yl]-3-ethylthiourea.
What is the SMILES notation for 1-[6-(5-acetylthiophen-2-yl)pyrido[2,3-b]pyrazin-3-yl]-3-ethylthiourea?
The canonical SMILES for 1-[6-(5-acetylthiophen-2-yl)pyrido[2,3-b]pyrazin-3-yl]-3-ethylthiourea is CCNC(=S)Nc1cnc2ccc(-c3ccc(C(C)=O)s3)nc2n1.
What is the InChIKey of 1-[6-(5-acetylthiophen-2-yl)pyrido[2,3-b]pyrazin-3-yl]-3-ethylthiourea?
The InChIKey is JYIBPERZVFEBCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N5OS2/c1-3-17-16(23)21-14-8-18-11-5-4-10(19-15(11)20-14)13-7-6-12(24-13)9(2)22/h4-8H,3H2,1-2H3,(H2,17,19,20,21,23).
What are the key properties of 1-[6-(5-acetylthiophen-2-yl)pyrido[2,3-b]pyrazin-3-yl]-3-ethylthiourea?
1-[6-(5-acetylthiophen-2-yl)pyrido[2,3-b]pyrazin-3-yl]-3-ethylthiourea has a molecular weight of 357.46 g/mol, XLogP of 3.26, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-(5-acetylthiophen-2-yl)pyrido[2,3-b]pyrazin-3-yl]-3-ethylthiourea is sourced from PubChem (CID 25151897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).