1-[3-(4-methyl-1,3-thiazol-2-yl)pyrido[2,3-b]pyrazin-6-yl]-3-pentylthiourea

C17H20N6S2 — CID 88993939

IUPAC1-[3-(4-methyl-1,3-thiazol-2-yl)pyrido[2,3-b]pyrazin-6-yl]-3-pentylthiourea
SMILESCCCCCNC(=S)Nc1ccc2ncc(-c3nc(C)cs3)nc2n1
InChIInChI=1S/C17H20N6S2/c1-3-4-5-8-18-17(24)23-14-7-6-12-15(22-14)21-13(9-19-12)16-20-11(2)10-25-16/h6-7,9-10H,3-5,8H2,1-2H3,(H2,18,21,22,23,24)
InChIKeyXGLCPMKXUFEGBE-UHFFFAOYSA-N
MW372.52 g/mol
LogP3.93
Rot. Bonds6

About 1-[3-(4-methyl-1,3-thiazol-2-yl)pyrido[2,3-b]pyrazin-6-yl]-3-pentylthiourea

1-[3-(4-methyl-1,3-thiazol-2-yl)pyrido[2,3-b]pyrazin-6-yl]-3-pentylthiourea (PubChem CID 88993939) has the molecular formula C17H20N6S2 and a molecular weight of 372.52 g/mol. Its IUPAC name is 1-[3-(4-methyl-1,3-thiazol-2-yl)pyrido[2,3-b]pyrazin-6-yl]-3-pentylthiourea.

Molecular Properties

Compound Name1-[3-(4-methyl-1,3-thiazol-2-yl)pyrido[2,3-b]pyrazin-6-yl]-3-pentylthiourea
PubChem CID88993939
Molecular FormulaC17H20N6S2
Molecular Weight372.52 g/mol
Exact Mass372.12
IUPAC Name1-[3-(4-methyl-1,3-thiazol-2-yl)pyrido[2,3-b]pyrazin-6-yl]-3-pentylthiourea
SMILESCCCCCNC(=S)Nc1ccc2ncc(-c3nc(C)cs3)nc2n1
InChIInChI=1S/C17H20N6S2/c1-3-4-5-8-18-17(24)23-14-7-6-12-15(22-14)21-13(9-19-12)16-20-11(2)10-25-16/h6-7,9-10H,3-5,8H2,1-2H3,(H2,18,21,22,23,24)
InChIKeyXGLCPMKXUFEGBE-UHFFFAOYSA-N
XLogP3.93
TPSA75.62 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.52
LogP ≤ 53.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

1-[3-(4-methylthiophen-2-yl)pyrido[2,3-b]pyrazin-6-yl]-3-pentylthiourea
CID 88994439
4-[6-(pentylcarbamothioylamino)pyrido[2,3-b]pyrazin-3-yl]thiophene-2-carboxylic acid
CID 88994479
1-[3-(1-methylimidazol-4-yl)pyrido[2,3-b]pyrazin-6-yl]-3-pentylthiourea
CID 88993879
1-pentyl-3-[3-(3H-pyrrol-2-yl)pyrido[2,3-b]pyrazin-6-yl]thiourea
CID 152976724
1-pentyl-3-[3-(1-propan-2-ylpyrazol-3-yl)pyrido[2,3-b]pyrazin-6-yl]thiourea
CID 88993922
methyl 2-methyl-5-[6-(pentylcarbamothioylamino)pyrido[2,3-b]pyrazin-3-yl]furan-3-carboxylate
CID 88994190
1-cyclopropyl-1-methyl-3-[3-(4-methyl-1,3-thiazol-2-yl)pyrido[2,3-b]pyrazin-6-yl]urea
CID 174711834
1-ethyl-3-[3-(3H-pyrrol-2-yl)pyrido[2,3-b]pyrazin-6-yl]thiourea
CID 158662977
1-[3-[5-(ethoxymethoxymethyl)furan-2-yl]pyrido[2,3-b]pyrazin-6-yl]-3-pentylurea
CID 88994416
1-(6-methylquinolin-2-yl)-3-[6-[(6-methylquinolin-2-yl)carbamothioylamino]hexyl]thiourea
CID 3925996
1-[3-[5-(hydroxymethyl)thiophen-2-yl]pyrido[2,3-b]pyrazin-6-yl]-3-prop-2-enylthiourea
CID 88994375
N-[4-[(3-phenylpyrido[2,3-b]pyrazin-6-yl)carbamoylamino]butyl]acetamide
CID 58881889

Frequently Asked Questions

What is the IUPAC name of 1-[3-(4-methyl-1,3-thiazol-2-yl)pyrido[2,3-b]pyrazin-6-yl]-3-pentylthiourea?
The IUPAC name of 1-[3-(4-methyl-1,3-thiazol-2-yl)pyrido[2,3-b]pyrazin-6-yl]-3-pentylthiourea (CID 88993939) is 1-[3-(4-methyl-1,3-thiazol-2-yl)pyrido[2,3-b]pyrazin-6-yl]-3-pentylthiourea.
What is the SMILES notation for 1-[3-(4-methyl-1,3-thiazol-2-yl)pyrido[2,3-b]pyrazin-6-yl]-3-pentylthiourea?
The canonical SMILES for 1-[3-(4-methyl-1,3-thiazol-2-yl)pyrido[2,3-b]pyrazin-6-yl]-3-pentylthiourea is CCCCCNC(=S)Nc1ccc2ncc(-c3nc(C)cs3)nc2n1.
What is the InChIKey of 1-[3-(4-methyl-1,3-thiazol-2-yl)pyrido[2,3-b]pyrazin-6-yl]-3-pentylthiourea?
The InChIKey is XGLCPMKXUFEGBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N6S2/c1-3-4-5-8-18-17(24)23-14-7-6-12-15(22-14)21-13(9-19-12)16-20-11(2)10-25-16/h6-7,9-10H,3-5,8H2,1-2H3,(H2,18,21,22,23,24).
What are the key properties of 1-[3-(4-methyl-1,3-thiazol-2-yl)pyrido[2,3-b]pyrazin-6-yl]-3-pentylthiourea?
1-[3-(4-methyl-1,3-thiazol-2-yl)pyrido[2,3-b]pyrazin-6-yl]-3-pentylthiourea has a molecular weight of 372.52 g/mol, XLogP of 3.93, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(4-methyl-1,3-thiazol-2-yl)pyrido[2,3-b]pyrazin-6-yl]-3-pentylthiourea is sourced from PubChem (CID 88993939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).