1-cyclopentyl-1-sulfanyl-3-[3-(1,3-thiazol-5-yl)pyrido[2,3-b]pyrazin-6-yl]urea

C16H16N6OS2 — CID 88995559

IUPAC1-cyclopentyl-1-sulfanyl-3-[3-(1,3-thiazol-5-yl)pyrido[2,3-b]pyrazin-6-yl]urea
SMILESO=C(Nc1ccc2ncc(-c3cncs3)nc2n1)N(S)C1CCCC1
InChIInChI=1S/C16H16N6OS2/c23-16(22(24)10-3-1-2-4-10)21-14-6-5-11-15(20-14)19-12(7-18-11)13-8-17-9-25-13/h5-10,24H,1-4H2,(H,19,20,21,23)
InChIKeyPEFUDBXETRCJTD-UHFFFAOYSA-N
MW372.48 g/mol
LogP3.77
Rot. Bonds3

About 1-cyclopentyl-1-sulfanyl-3-[3-(1,3-thiazol-5-yl)pyrido[2,3-b]pyrazin-6-yl]urea

1-cyclopentyl-1-sulfanyl-3-[3-(1,3-thiazol-5-yl)pyrido[2,3-b]pyrazin-6-yl]urea (PubChem CID 88995559) has the molecular formula C16H16N6OS2 and a molecular weight of 372.48 g/mol. Its IUPAC name is 1-cyclopentyl-1-sulfanyl-3-[3-(1,3-thiazol-5-yl)pyrido[2,3-b]pyrazin-6-yl]urea.

Molecular Properties

Compound Name1-cyclopentyl-1-sulfanyl-3-[3-(1,3-thiazol-5-yl)pyrido[2,3-b]pyrazin-6-yl]urea
PubChem CID88995559
Molecular FormulaC16H16N6OS2
Molecular Weight372.48 g/mol
Exact Mass372.08
IUPAC Name1-cyclopentyl-1-sulfanyl-3-[3-(1,3-thiazol-5-yl)pyrido[2,3-b]pyrazin-6-yl]urea
SMILESO=C(Nc1ccc2ncc(-c3cncs3)nc2n1)N(S)C1CCCC1
InChIInChI=1S/C16H16N6OS2/c23-16(22(24)10-3-1-2-4-10)21-14-6-5-11-15(20-14)19-12(7-18-11)13-8-17-9-25-13/h5-10,24H,1-4H2,(H,19,20,21,23)
InChIKeyPEFUDBXETRCJTD-UHFFFAOYSA-N
XLogP3.77
TPSA83.90 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.48
LogP ≤ 53.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

1-cyclopentyl-3-[3-(furan-3-yl)pyrido[2,3-b]pyrazin-6-yl]-1-sulfanylurea
CID 88994409
1-pentyl-1-sulfanyl-3-[3-(1,3-thiazol-5-yl)pyrido[2,3-b]pyrazin-6-yl]urea
CID 123189450
1-cyclopropyl-1-sulfanyl-3-[3-(5-trimethylsilylfuran-2-yl)pyrido[2,3-b]pyrazin-6-yl]urea
CID 88994172
1-cyclopropyl-3-[3-[5-(hydroxymethyl)thiophen-3-yl]pyrido[2,3-b]pyrazin-6-yl]-1-sulfanylurea
CID 88993987
1-cyclobutyl-1-sulfanyl-3-[3-(3,4,5-trimethoxyanilino)pyrido[2,3-b]pyrazin-6-yl]urea
CID 87653705
3-[3-(5-methylthiophen-2-yl)pyrido[2,3-b]pyrazin-6-yl]-1-prop-2-enyl-1-sulfanylurea
CID 88994377
1-cyclopropyl-1-methyl-3-[3-(4-methyl-1,3-thiazol-2-yl)pyrido[2,3-b]pyrazin-6-yl]urea
CID 174711834
5-[6-(cyclopentylcarbamoylamino)pyrido[2,3-b]pyrazin-3-yl]thiophene-2-carboxylic acid
CID 70815017
[3-(5-methylthiophen-2-yl)pyrido[2,3-b]pyrazin-6-yl]urea
CID 123875970
N-methyl-N-[(3-phenylpyrido[2,3-b]pyrazin-6-yl)carbamoyl]acetamide
CID 58881960
1,1-diethyl-3-(3-phenylpyrido[2,3-b]pyrazin-6-yl)urea
CID 16730273
1-(cyclohexylmethyl)-1-sulfanyl-3-[3-(3,4,5-trimethoxyanilino)pyrido[2,3-b]pyrazin-6-yl]urea
CID 87656055

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-1-sulfanyl-3-[3-(1,3-thiazol-5-yl)pyrido[2,3-b]pyrazin-6-yl]urea?
The IUPAC name of 1-cyclopentyl-1-sulfanyl-3-[3-(1,3-thiazol-5-yl)pyrido[2,3-b]pyrazin-6-yl]urea (CID 88995559) is 1-cyclopentyl-1-sulfanyl-3-[3-(1,3-thiazol-5-yl)pyrido[2,3-b]pyrazin-6-yl]urea.
What is the SMILES notation for 1-cyclopentyl-1-sulfanyl-3-[3-(1,3-thiazol-5-yl)pyrido[2,3-b]pyrazin-6-yl]urea?
The canonical SMILES for 1-cyclopentyl-1-sulfanyl-3-[3-(1,3-thiazol-5-yl)pyrido[2,3-b]pyrazin-6-yl]urea is O=C(Nc1ccc2ncc(-c3cncs3)nc2n1)N(S)C1CCCC1.
What is the InChIKey of 1-cyclopentyl-1-sulfanyl-3-[3-(1,3-thiazol-5-yl)pyrido[2,3-b]pyrazin-6-yl]urea?
The InChIKey is PEFUDBXETRCJTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N6OS2/c23-16(22(24)10-3-1-2-4-10)21-14-6-5-11-15(20-14)19-12(7-18-11)13-8-17-9-25-13/h5-10,24H,1-4H2,(H,19,20,21,23).
What are the key properties of 1-cyclopentyl-1-sulfanyl-3-[3-(1,3-thiazol-5-yl)pyrido[2,3-b]pyrazin-6-yl]urea?
1-cyclopentyl-1-sulfanyl-3-[3-(1,3-thiazol-5-yl)pyrido[2,3-b]pyrazin-6-yl]urea has a molecular weight of 372.48 g/mol, XLogP of 3.77, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-1-sulfanyl-3-[3-(1,3-thiazol-5-yl)pyrido[2,3-b]pyrazin-6-yl]urea is sourced from PubChem (CID 88995559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).