3-[3-(5-methylthiophen-2-yl)pyrido[2,3-b]pyrazin-6-yl]-1-prop-2-enyl-1-sulfanylurea

C16H15N5OS2 — CID 88994377

IUPAC3-[3-(5-methylthiophen-2-yl)pyrido[2,3-b]pyrazin-6-yl]-1-prop-2-enyl-1-sulfanylurea
SMILESC=CCN(S)C(=O)Nc1ccc2ncc(-c3ccc(C)s3)nc2n1
InChIInChI=1S/C16H15N5OS2/c1-3-8-21(23)16(22)20-14-7-5-11-15(19-14)18-12(9-17-11)13-6-4-10(2)24-13/h3-7,9,23H,1,8H2,2H3,(H,18,19,20,22)
InChIKeyMVHMFIXJOOKRRH-UHFFFAOYSA-N
MW357.46 g/mol
LogP3.93
Rot. Bonds4

About 3-[3-(5-methylthiophen-2-yl)pyrido[2,3-b]pyrazin-6-yl]-1-prop-2-enyl-1-sulfanylurea

3-[3-(5-methylthiophen-2-yl)pyrido[2,3-b]pyrazin-6-yl]-1-prop-2-enyl-1-sulfanylurea (PubChem CID 88994377) has the molecular formula C16H15N5OS2 and a molecular weight of 357.46 g/mol. Its IUPAC name is 3-[3-(5-methylthiophen-2-yl)pyrido[2,3-b]pyrazin-6-yl]-1-prop-2-enyl-1-sulfanylurea.

Molecular Properties

Compound Name3-[3-(5-methylthiophen-2-yl)pyrido[2,3-b]pyrazin-6-yl]-1-prop-2-enyl-1-sulfanylurea
PubChem CID88994377
Molecular FormulaC16H15N5OS2
Molecular Weight357.46 g/mol
Exact Mass357.07
IUPAC Name3-[3-(5-methylthiophen-2-yl)pyrido[2,3-b]pyrazin-6-yl]-1-prop-2-enyl-1-sulfanylurea
SMILESC=CCN(S)C(=O)Nc1ccc2ncc(-c3ccc(C)s3)nc2n1
InChIInChI=1S/C16H15N5OS2/c1-3-8-21(23)16(22)20-14-7-5-11-15(19-14)18-12(9-17-11)13-6-4-10(2)24-13/h3-7,9,23H,1,8H2,2H3,(H,18,19,20,22)
InChIKeyMVHMFIXJOOKRRH-UHFFFAOYSA-N
XLogP3.93
TPSA71.01 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 ≤ 53.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

Analyze 3-[3-(5-methylthiophen-2-yl)pyrido[2,3-b]pyrazin-6-yl]-1-prop-2-enyl-1-sulfanylurea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[3-(5-methylthiophen-2-yl)pyrido[2,3-b]pyrazin-6-yl]-1-prop-2-enyl-1-sulfanylurea?
The IUPAC name of 3-[3-(5-methylthiophen-2-yl)pyrido[2,3-b]pyrazin-6-yl]-1-prop-2-enyl-1-sulfanylurea (CID 88994377) is 3-[3-(5-methylthiophen-2-yl)pyrido[2,3-b]pyrazin-6-yl]-1-prop-2-enyl-1-sulfanylurea.
What is the SMILES notation for 3-[3-(5-methylthiophen-2-yl)pyrido[2,3-b]pyrazin-6-yl]-1-prop-2-enyl-1-sulfanylurea?
The canonical SMILES for 3-[3-(5-methylthiophen-2-yl)pyrido[2,3-b]pyrazin-6-yl]-1-prop-2-enyl-1-sulfanylurea is C=CCN(S)C(=O)Nc1ccc2ncc(-c3ccc(C)s3)nc2n1.
What is the InChIKey of 3-[3-(5-methylthiophen-2-yl)pyrido[2,3-b]pyrazin-6-yl]-1-prop-2-enyl-1-sulfanylurea?
The InChIKey is MVHMFIXJOOKRRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N5OS2/c1-3-8-21(23)16(22)20-14-7-5-11-15(19-14)18-12(9-17-11)13-6-4-10(2)24-13/h3-7,9,23H,1,8H2,2H3,(H,18,19,20,22).
What are the key properties of 3-[3-(5-methylthiophen-2-yl)pyrido[2,3-b]pyrazin-6-yl]-1-prop-2-enyl-1-sulfanylurea?
3-[3-(5-methylthiophen-2-yl)pyrido[2,3-b]pyrazin-6-yl]-1-prop-2-enyl-1-sulfanylurea has a molecular weight of 357.46 g/mol, XLogP of 3.93, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(5-methylthiophen-2-yl)pyrido[2,3-b]pyrazin-6-yl]-1-prop-2-enyl-1-sulfanylurea is sourced from PubChem (CID 88994377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).