1-(5-methyl-1H-pyrazol-4-yl)-3-(1,3-thiazol-2-yl)urea

C8H9N5OS — CID 75405901

IUPAC1-(5-methyl-1H-pyrazol-4-yl)-3-(1,3-thiazol-2-yl)urea
SMILESCc1[nH]ncc1NC(=O)Nc1nccs1
InChIInChI=1S/C8H9N5OS/c1-5-6(4-10-13-5)11-7(14)12-8-9-2-3-15-8/h2-4H,1H3,(H,10,13)(H2,9,11,12,14)
InChIKeyNWDASYWGZUNOEI-UHFFFAOYSA-N
MW223.26 g/mol
LogP1.82
Rot. Bonds2

About 1-(5-methyl-1H-pyrazol-4-yl)-3-(1,3-thiazol-2-yl)urea

1-(5-methyl-1H-pyrazol-4-yl)-3-(1,3-thiazol-2-yl)urea (PubChem CID 75405901) has the molecular formula C8H9N5OS and a molecular weight of 223.26 g/mol. Its IUPAC name is 1-(5-methyl-1H-pyrazol-4-yl)-3-(1,3-thiazol-2-yl)urea.

Molecular Properties

Compound Name1-(5-methyl-1H-pyrazol-4-yl)-3-(1,3-thiazol-2-yl)urea
PubChem CID75405901
Molecular FormulaC8H9N5OS
Molecular Weight223.26 g/mol
Exact Mass223.05
IUPAC Name1-(5-methyl-1H-pyrazol-4-yl)-3-(1,3-thiazol-2-yl)urea
SMILESCc1[nH]ncc1NC(=O)Nc1nccs1
InChIInChI=1S/C8H9N5OS/c1-5-6(4-10-13-5)11-7(14)12-8-9-2-3-15-8/h2-4H,1H3,(H,10,13)(H2,9,11,12,14)
InChIKeyNWDASYWGZUNOEI-UHFFFAOYSA-N
XLogP1.82
TPSA82.70 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.26
LogP ≤ 51.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(5-methyl-1H-pyrazol-4-yl)-3-(1,3-thiazol-2-yl)urea?
The IUPAC name of 1-(5-methyl-1H-pyrazol-4-yl)-3-(1,3-thiazol-2-yl)urea (CID 75405901) is 1-(5-methyl-1H-pyrazol-4-yl)-3-(1,3-thiazol-2-yl)urea.
What is the SMILES notation for 1-(5-methyl-1H-pyrazol-4-yl)-3-(1,3-thiazol-2-yl)urea?
The canonical SMILES for 1-(5-methyl-1H-pyrazol-4-yl)-3-(1,3-thiazol-2-yl)urea is Cc1[nH]ncc1NC(=O)Nc1nccs1.
What is the InChIKey of 1-(5-methyl-1H-pyrazol-4-yl)-3-(1,3-thiazol-2-yl)urea?
The InChIKey is NWDASYWGZUNOEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N5OS/c1-5-6(4-10-13-5)11-7(14)12-8-9-2-3-15-8/h2-4H,1H3,(H,10,13)(H2,9,11,12,14).
What are the key properties of 1-(5-methyl-1H-pyrazol-4-yl)-3-(1,3-thiazol-2-yl)urea?
1-(5-methyl-1H-pyrazol-4-yl)-3-(1,3-thiazol-2-yl)urea has a molecular weight of 223.26 g/mol, XLogP of 1.82, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-methyl-1H-pyrazol-4-yl)-3-(1,3-thiazol-2-yl)urea is sourced from PubChem (CID 75405901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).