1-[1-(1-methylpyrazol-4-yl)-2-oxopyrrolidin-3-yl]-3-(4-propyl-1,3-thiazol-2-yl)urea

C15H20N6O2S — CID 122138634

IUPAC1-[1-(1-methylpyrazol-4-yl)-2-oxopyrrolidin-3-yl]-3-(4-propyl-1,3-thiazol-2-yl)urea
SMILESCCCc1csc(NC(=O)NC2CCN(c3cnn(C)c3)C2=O)n1
InChIInChI=1S/C15H20N6O2S/c1-3-4-10-9-24-15(17-10)19-14(23)18-12-5-6-21(13(12)22)11-7-16-20(2)8-11/h7-9,12H,3-6H2,1-2H3,(H2,17,18,19,23)
InChIKeyHTINOVCSJZBASO-UHFFFAOYSA-N
MW348.43 g/mol
LogP1.76
Rot. Bonds5

About 1-[1-(1-methylpyrazol-4-yl)-2-oxopyrrolidin-3-yl]-3-(4-propyl-1,3-thiazol-2-yl)urea

1-[1-(1-methylpyrazol-4-yl)-2-oxopyrrolidin-3-yl]-3-(4-propyl-1,3-thiazol-2-yl)urea (PubChem CID 122138634) has the molecular formula C15H20N6O2S and a molecular weight of 348.43 g/mol. Its IUPAC name is 1-[1-(1-methylpyrazol-4-yl)-2-oxopyrrolidin-3-yl]-3-(4-propyl-1,3-thiazol-2-yl)urea.

Molecular Properties

Compound Name1-[1-(1-methylpyrazol-4-yl)-2-oxopyrrolidin-3-yl]-3-(4-propyl-1,3-thiazol-2-yl)urea
PubChem CID122138634
Molecular FormulaC15H20N6O2S
Molecular Weight348.43 g/mol
Exact Mass348.14
IUPAC Name1-[1-(1-methylpyrazol-4-yl)-2-oxopyrrolidin-3-yl]-3-(4-propyl-1,3-thiazol-2-yl)urea
SMILESCCCc1csc(NC(=O)NC2CCN(c3cnn(C)c3)C2=O)n1
InChIInChI=1S/C15H20N6O2S/c1-3-4-10-9-24-15(17-10)19-14(23)18-12-5-6-21(13(12)22)11-7-16-20(2)8-11/h7-9,12H,3-6H2,1-2H3,(H2,17,18,19,23)
InChIKeyHTINOVCSJZBASO-UHFFFAOYSA-N
XLogP1.76
TPSA92.15 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.43
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(1-methylpyrazol-4-yl)-2-oxopyrrolidin-3-yl]-3-(4-propyl-1,3-thiazol-2-yl)urea?
The IUPAC name of 1-[1-(1-methylpyrazol-4-yl)-2-oxopyrrolidin-3-yl]-3-(4-propyl-1,3-thiazol-2-yl)urea (CID 122138634) is 1-[1-(1-methylpyrazol-4-yl)-2-oxopyrrolidin-3-yl]-3-(4-propyl-1,3-thiazol-2-yl)urea.
What is the SMILES notation for 1-[1-(1-methylpyrazol-4-yl)-2-oxopyrrolidin-3-yl]-3-(4-propyl-1,3-thiazol-2-yl)urea?
The canonical SMILES for 1-[1-(1-methylpyrazol-4-yl)-2-oxopyrrolidin-3-yl]-3-(4-propyl-1,3-thiazol-2-yl)urea is CCCc1csc(NC(=O)NC2CCN(c3cnn(C)c3)C2=O)n1.
What is the InChIKey of 1-[1-(1-methylpyrazol-4-yl)-2-oxopyrrolidin-3-yl]-3-(4-propyl-1,3-thiazol-2-yl)urea?
The InChIKey is HTINOVCSJZBASO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N6O2S/c1-3-4-10-9-24-15(17-10)19-14(23)18-12-5-6-21(13(12)22)11-7-16-20(2)8-11/h7-9,12H,3-6H2,1-2H3,(H2,17,18,19,23).
What are the key properties of 1-[1-(1-methylpyrazol-4-yl)-2-oxopyrrolidin-3-yl]-3-(4-propyl-1,3-thiazol-2-yl)urea?
1-[1-(1-methylpyrazol-4-yl)-2-oxopyrrolidin-3-yl]-3-(4-propyl-1,3-thiazol-2-yl)urea has a molecular weight of 348.43 g/mol, XLogP of 1.76, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(1-methylpyrazol-4-yl)-2-oxopyrrolidin-3-yl]-3-(4-propyl-1,3-thiazol-2-yl)urea is sourced from PubChem (CID 122138634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).