1-(3-anilinopyrido[2,3-b]pyrazin-6-yl)-3-ethylthiourea

C16H16N6S — CID 25151701

IUPAC1-(3-anilinopyrido[2,3-b]pyrazin-6-yl)-3-ethylthiourea
SMILESCCNC(=S)Nc1ccc2ncc(Nc3ccccc3)nc2n1
InChIInChI=1S/C16H16N6S/c1-2-17-16(23)22-13-9-8-12-15(20-13)21-14(10-18-12)19-11-6-4-3-5-7-11/h3-10H,2H2,1H3,(H3,17,19,20,21,22,23)
InChIKeyWPTCPIAHZPNVRN-UHFFFAOYSA-N
MW324.41 g/mol
LogP3.07
Rot. Bonds4

About 1-(3-anilinopyrido[2,3-b]pyrazin-6-yl)-3-ethylthiourea

1-(3-anilinopyrido[2,3-b]pyrazin-6-yl)-3-ethylthiourea (PubChem CID 25151701) has the molecular formula C16H16N6S and a molecular weight of 324.41 g/mol. Its IUPAC name is 1-(3-anilinopyrido[2,3-b]pyrazin-6-yl)-3-ethylthiourea.

Molecular Properties

Compound Name1-(3-anilinopyrido[2,3-b]pyrazin-6-yl)-3-ethylthiourea
PubChem CID25151701
Molecular FormulaC16H16N6S
Molecular Weight324.41 g/mol
Exact Mass324.12
IUPAC Name1-(3-anilinopyrido[2,3-b]pyrazin-6-yl)-3-ethylthiourea
SMILESCCNC(=S)Nc1ccc2ncc(Nc3ccccc3)nc2n1
InChIInChI=1S/C16H16N6S/c1-2-17-16(23)22-13-9-8-12-15(20-13)21-14(10-18-12)19-11-6-4-3-5-7-11/h3-10H,2H2,1H3,(H3,17,19,20,21,22,23)
InChIKeyWPTCPIAHZPNVRN-UHFFFAOYSA-N
XLogP3.07
TPSA74.76 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.41
LogP ≤ 53.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(3-anilinopyrido[2,3-b]pyrazin-6-yl)-3-ethylthiourea?
The IUPAC name of 1-(3-anilinopyrido[2,3-b]pyrazin-6-yl)-3-ethylthiourea (CID 25151701) is 1-(3-anilinopyrido[2,3-b]pyrazin-6-yl)-3-ethylthiourea.
What is the SMILES notation for 1-(3-anilinopyrido[2,3-b]pyrazin-6-yl)-3-ethylthiourea?
The canonical SMILES for 1-(3-anilinopyrido[2,3-b]pyrazin-6-yl)-3-ethylthiourea is CCNC(=S)Nc1ccc2ncc(Nc3ccccc3)nc2n1.
What is the InChIKey of 1-(3-anilinopyrido[2,3-b]pyrazin-6-yl)-3-ethylthiourea?
The InChIKey is WPTCPIAHZPNVRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N6S/c1-2-17-16(23)22-13-9-8-12-15(20-13)21-14(10-18-12)19-11-6-4-3-5-7-11/h3-10H,2H2,1H3,(H3,17,19,20,21,22,23).
What are the key properties of 1-(3-anilinopyrido[2,3-b]pyrazin-6-yl)-3-ethylthiourea?
1-(3-anilinopyrido[2,3-b]pyrazin-6-yl)-3-ethylthiourea has a molecular weight of 324.41 g/mol, XLogP of 3.07, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-anilinopyrido[2,3-b]pyrazin-6-yl)-3-ethylthiourea is sourced from PubChem (CID 25151701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).