1-(1-methylpyrazol-3-yl)-3-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]urea

C16H17N5OS — CID 71973689

IUPAC1-(1-methylpyrazol-3-yl)-3-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]urea
SMILESCn1ccc(NC(=O)NCCc2csc(-c3ccccc3)n2)n1
InChIInChI=1S/C16H17N5OS/c1-21-10-8-14(20-21)19-16(22)17-9-7-13-11-23-15(18-13)12-5-3-2-4-6-12/h2-6,8,10-11H,7,9H2,1H3,(H2,17,19,20,22)
InChIKeyUSIWOFRSXAQMGY-UHFFFAOYSA-N
MW327.41 g/mol
LogP2.91
Rot. Bonds5

About 1-(1-methylpyrazol-3-yl)-3-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]urea

1-(1-methylpyrazol-3-yl)-3-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]urea (PubChem CID 71973689) has the molecular formula C16H17N5OS and a molecular weight of 327.41 g/mol. Its IUPAC name is 1-(1-methylpyrazol-3-yl)-3-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]urea.

Molecular Properties

Compound Name1-(1-methylpyrazol-3-yl)-3-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]urea
PubChem CID71973689
Molecular FormulaC16H17N5OS
Molecular Weight327.41 g/mol
Exact Mass327.12
IUPAC Name1-(1-methylpyrazol-3-yl)-3-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]urea
SMILESCn1ccc(NC(=O)NCCc2csc(-c3ccccc3)n2)n1
InChIInChI=1S/C16H17N5OS/c1-21-10-8-14(20-21)19-16(22)17-9-7-13-11-23-15(18-13)12-5-3-2-4-6-12/h2-6,8,10-11H,7,9H2,1H3,(H2,17,19,20,22)
InChIKeyUSIWOFRSXAQMGY-UHFFFAOYSA-N
XLogP2.91
TPSA71.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.41
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(1-methylpyrazol-3-yl)-3-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]urea?
The IUPAC name of 1-(1-methylpyrazol-3-yl)-3-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]urea (CID 71973689) is 1-(1-methylpyrazol-3-yl)-3-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]urea.
What is the SMILES notation for 1-(1-methylpyrazol-3-yl)-3-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]urea?
The canonical SMILES for 1-(1-methylpyrazol-3-yl)-3-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]urea is Cn1ccc(NC(=O)NCCc2csc(-c3ccccc3)n2)n1.
What is the InChIKey of 1-(1-methylpyrazol-3-yl)-3-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]urea?
The InChIKey is USIWOFRSXAQMGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N5OS/c1-21-10-8-14(20-21)19-16(22)17-9-7-13-11-23-15(18-13)12-5-3-2-4-6-12/h2-6,8,10-11H,7,9H2,1H3,(H2,17,19,20,22).
What are the key properties of 1-(1-methylpyrazol-3-yl)-3-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]urea?
1-(1-methylpyrazol-3-yl)-3-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]urea has a molecular weight of 327.41 g/mol, XLogP of 2.91, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methylpyrazol-3-yl)-3-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]urea is sourced from PubChem (CID 71973689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).