1-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]-3-[2-(1,3-thiazol-2-yl)propan-2-yl]urea

C15H21N5O2S — CID 71867120

IUPAC1-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]-3-[2-(1,3-thiazol-2-yl)propan-2-yl]urea
SMILESCC(C)(NC(=O)Nc1cnn(CC2CCCO2)c1)c1nccs1
InChIInChI=1S/C15H21N5O2S/c1-15(2,13-16-5-7-23-13)19-14(21)18-11-8-17-20(9-11)10-12-4-3-6-22-12/h5,7-9,12H,3-4,6,10H2,1-2H3,(H2,18,19,21)
InChIKeyWZYIFWUKPZABCM-UHFFFAOYSA-N
MW335.43 g/mol
LogP2.58
Rot. Bonds5

About 1-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]-3-[2-(1,3-thiazol-2-yl)propan-2-yl]urea

1-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]-3-[2-(1,3-thiazol-2-yl)propan-2-yl]urea (PubChem CID 71867120) has the molecular formula C15H21N5O2S and a molecular weight of 335.43 g/mol. Its IUPAC name is 1-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]-3-[2-(1,3-thiazol-2-yl)propan-2-yl]urea.

Molecular Properties

Compound Name1-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]-3-[2-(1,3-thiazol-2-yl)propan-2-yl]urea
PubChem CID71867120
Molecular FormulaC15H21N5O2S
Molecular Weight335.43 g/mol
Exact Mass335.14
IUPAC Name1-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]-3-[2-(1,3-thiazol-2-yl)propan-2-yl]urea
SMILESCC(C)(NC(=O)Nc1cnn(CC2CCCO2)c1)c1nccs1
InChIInChI=1S/C15H21N5O2S/c1-15(2,13-16-5-7-23-13)19-14(21)18-11-8-17-20(9-11)10-12-4-3-6-22-12/h5,7-9,12H,3-4,6,10H2,1-2H3,(H2,18,19,21)
InChIKeyWZYIFWUKPZABCM-UHFFFAOYSA-N
XLogP2.58
TPSA81.07 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.43
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]-3-[2-(1,3-thiazol-2-yl)propan-2-yl]urea?
The IUPAC name of 1-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]-3-[2-(1,3-thiazol-2-yl)propan-2-yl]urea (CID 71867120) is 1-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]-3-[2-(1,3-thiazol-2-yl)propan-2-yl]urea.
What is the SMILES notation for 1-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]-3-[2-(1,3-thiazol-2-yl)propan-2-yl]urea?
The canonical SMILES for 1-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]-3-[2-(1,3-thiazol-2-yl)propan-2-yl]urea is CC(C)(NC(=O)Nc1cnn(CC2CCCO2)c1)c1nccs1.
What is the InChIKey of 1-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]-3-[2-(1,3-thiazol-2-yl)propan-2-yl]urea?
The InChIKey is WZYIFWUKPZABCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N5O2S/c1-15(2,13-16-5-7-23-13)19-14(21)18-11-8-17-20(9-11)10-12-4-3-6-22-12/h5,7-9,12H,3-4,6,10H2,1-2H3,(H2,18,19,21).
What are the key properties of 1-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]-3-[2-(1,3-thiazol-2-yl)propan-2-yl]urea?
1-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]-3-[2-(1,3-thiazol-2-yl)propan-2-yl]urea has a molecular weight of 335.43 g/mol, XLogP of 2.58, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]-3-[2-(1,3-thiazol-2-yl)propan-2-yl]urea is sourced from PubChem (CID 71867120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).