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

C18H21N5S2 — CID 88994439

IUPAC1-[3-(4-methylthiophen-2-yl)pyrido[2,3-b]pyrazin-6-yl]-3-pentylthiourea
SMILESCCCCCNC(=S)Nc1ccc2ncc(-c3cc(C)cs3)nc2n1
InChIInChI=1S/C18H21N5S2/c1-3-4-5-8-19-18(24)23-16-7-6-13-17(22-16)21-14(10-20-13)15-9-12(2)11-25-15/h6-7,9-11H,3-5,8H2,1-2H3,(H2,19,21,22,23,24)
InChIKeyGRTBFNFSKSHVAK-UHFFFAOYSA-N
MW371.54 g/mol
LogP4.54
Rot. Bonds6

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

1-[3-(4-methylthiophen-2-yl)pyrido[2,3-b]pyrazin-6-yl]-3-pentylthiourea (PubChem CID 88994439) has the molecular formula C18H21N5S2 and a molecular weight of 371.54 g/mol. Its IUPAC name is 1-[3-(4-methylthiophen-2-yl)pyrido[2,3-b]pyrazin-6-yl]-3-pentylthiourea.

Molecular Properties

Compound Name1-[3-(4-methylthiophen-2-yl)pyrido[2,3-b]pyrazin-6-yl]-3-pentylthiourea
PubChem CID88994439
Molecular FormulaC18H21N5S2
Molecular Weight371.54 g/mol
Exact Mass371.12
IUPAC Name1-[3-(4-methylthiophen-2-yl)pyrido[2,3-b]pyrazin-6-yl]-3-pentylthiourea
SMILESCCCCCNC(=S)Nc1ccc2ncc(-c3cc(C)cs3)nc2n1
InChIInChI=1S/C18H21N5S2/c1-3-4-5-8-19-18(24)23-16-7-6-13-17(22-16)21-14(10-20-13)15-9-12(2)11-25-15/h6-7,9-11H,3-5,8H2,1-2H3,(H2,19,21,22,23,24)
InChIKeyGRTBFNFSKSHVAK-UHFFFAOYSA-N
XLogP4.54
TPSA62.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.54
LogP ≤ 54.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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-methyl-1,3-thiazol-2-yl)pyrido[2,3-b]pyrazin-6-yl]-3-pentylthiourea
CID 88993939
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
methyl 2-methyl-5-[6-(pentylcarbamothioylamino)pyrido[2,3-b]pyrazin-3-yl]furan-3-carboxylate
CID 88994190
1-pentyl-3-[3-(1-propan-2-ylpyrazol-3-yl)pyrido[2,3-b]pyrazin-6-yl]thiourea
CID 88993922
1-ethyl-3-[3-(3H-pyrrol-2-yl)pyrido[2,3-b]pyrazin-6-yl]thiourea
CID 158662977
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
1-pentyl-1-sulfanyl-3-[3-(1,3-thiazol-5-yl)pyrido[2,3-b]pyrazin-6-yl]urea
CID 123189450
[3-(5-methylthiophen-2-yl)pyrido[2,3-b]pyrazin-6-yl]urea
CID 123875970
1-[3-[5-(ethoxymethoxymethyl)furan-2-yl]pyrido[2,3-b]pyrazin-6-yl]-3-pentylurea
CID 88994416

Frequently Asked Questions

What is the IUPAC name of 1-[3-(4-methylthiophen-2-yl)pyrido[2,3-b]pyrazin-6-yl]-3-pentylthiourea?
The IUPAC name of 1-[3-(4-methylthiophen-2-yl)pyrido[2,3-b]pyrazin-6-yl]-3-pentylthiourea (CID 88994439) is 1-[3-(4-methylthiophen-2-yl)pyrido[2,3-b]pyrazin-6-yl]-3-pentylthiourea.
What is the SMILES notation for 1-[3-(4-methylthiophen-2-yl)pyrido[2,3-b]pyrazin-6-yl]-3-pentylthiourea?
The canonical SMILES for 1-[3-(4-methylthiophen-2-yl)pyrido[2,3-b]pyrazin-6-yl]-3-pentylthiourea is CCCCCNC(=S)Nc1ccc2ncc(-c3cc(C)cs3)nc2n1.
What is the InChIKey of 1-[3-(4-methylthiophen-2-yl)pyrido[2,3-b]pyrazin-6-yl]-3-pentylthiourea?
The InChIKey is GRTBFNFSKSHVAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N5S2/c1-3-4-5-8-19-18(24)23-16-7-6-13-17(22-16)21-14(10-20-13)15-9-12(2)11-25-15/h6-7,9-11H,3-5,8H2,1-2H3,(H2,19,21,22,23,24).
What are the key properties of 1-[3-(4-methylthiophen-2-yl)pyrido[2,3-b]pyrazin-6-yl]-3-pentylthiourea?
1-[3-(4-methylthiophen-2-yl)pyrido[2,3-b]pyrazin-6-yl]-3-pentylthiourea has a molecular weight of 371.54 g/mol, XLogP of 4.54, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(4-methylthiophen-2-yl)pyrido[2,3-b]pyrazin-6-yl]-3-pentylthiourea is sourced from PubChem (CID 88994439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).