1-[2-[[(3R)-oxolan-3-yl]methyl]pyrazol-3-yl]-3-[(2R)-2-(1,3-thiazol-2-yl)propyl]urea

C15H21N5O2S — CID 99713787

IUPAC1-[2-[[(3R)-oxolan-3-yl]methyl]pyrazol-3-yl]-3-[(2R)-2-(1,3-thiazol-2-yl)propyl]urea
SMILESC[C@H](CNC(=O)Nc1ccnn1C[C@H]1CCOC1)c1nccs1
InChIInChI=1S/C15H21N5O2S/c1-11(14-16-5-7-23-14)8-17-15(21)19-13-2-4-18-20(13)9-12-3-6-22-10-12/h2,4-5,7,11-12H,3,6,8-10H2,1H3,(H2,17,19,21)/t11-,12-/m1/s1
InChIKeyZYWTYCMGYFMDQE-VXGBXAGGSA-N
MW335.43 g/mol
LogP2.30
Rot. Bonds6

About 1-[2-[[(3R)-oxolan-3-yl]methyl]pyrazol-3-yl]-3-[(2R)-2-(1,3-thiazol-2-yl)propyl]urea

1-[2-[[(3R)-oxolan-3-yl]methyl]pyrazol-3-yl]-3-[(2R)-2-(1,3-thiazol-2-yl)propyl]urea (PubChem CID 99713787) has the molecular formula C15H21N5O2S and a molecular weight of 335.43 g/mol. Its IUPAC name is 1-[2-[[(3R)-oxolan-3-yl]methyl]pyrazol-3-yl]-3-[(2R)-2-(1,3-thiazol-2-yl)propyl]urea.

Molecular Properties

Compound Name1-[2-[[(3R)-oxolan-3-yl]methyl]pyrazol-3-yl]-3-[(2R)-2-(1,3-thiazol-2-yl)propyl]urea
PubChem CID99713787
Molecular FormulaC15H21N5O2S
Molecular Weight335.43 g/mol
Exact Mass335.14
IUPAC Name1-[2-[[(3R)-oxolan-3-yl]methyl]pyrazol-3-yl]-3-[(2R)-2-(1,3-thiazol-2-yl)propyl]urea
SMILESC[C@H](CNC(=O)Nc1ccnn1C[C@H]1CCOC1)c1nccs1
InChIInChI=1S/C15H21N5O2S/c1-11(14-16-5-7-23-14)8-17-15(21)19-13-2-4-18-20(13)9-12-3-6-22-10-12/h2,4-5,7,11-12H,3,6,8-10H2,1H3,(H2,17,19,21)/t11-,12-/m1/s1
InChIKeyZYWTYCMGYFMDQE-VXGBXAGGSA-N
XLogP2.30
TPSA81.07 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.43
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[[(3R)-oxolan-3-yl]methyl]pyrazol-3-yl]-3-[(2R)-2-(1,3-thiazol-2-yl)propyl]urea?
The IUPAC name of 1-[2-[[(3R)-oxolan-3-yl]methyl]pyrazol-3-yl]-3-[(2R)-2-(1,3-thiazol-2-yl)propyl]urea (CID 99713787) is 1-[2-[[(3R)-oxolan-3-yl]methyl]pyrazol-3-yl]-3-[(2R)-2-(1,3-thiazol-2-yl)propyl]urea.
What is the SMILES notation for 1-[2-[[(3R)-oxolan-3-yl]methyl]pyrazol-3-yl]-3-[(2R)-2-(1,3-thiazol-2-yl)propyl]urea?
The canonical SMILES for 1-[2-[[(3R)-oxolan-3-yl]methyl]pyrazol-3-yl]-3-[(2R)-2-(1,3-thiazol-2-yl)propyl]urea is C[C@H](CNC(=O)Nc1ccnn1C[C@H]1CCOC1)c1nccs1.
What is the InChIKey of 1-[2-[[(3R)-oxolan-3-yl]methyl]pyrazol-3-yl]-3-[(2R)-2-(1,3-thiazol-2-yl)propyl]urea?
The InChIKey is ZYWTYCMGYFMDQE-VXGBXAGGSA-N. The full InChI is InChI=1S/C15H21N5O2S/c1-11(14-16-5-7-23-14)8-17-15(21)19-13-2-4-18-20(13)9-12-3-6-22-10-12/h2,4-5,7,11-12H,3,6,8-10H2,1H3,(H2,17,19,21)/t11-,12-/m1/s1.
What are the key properties of 1-[2-[[(3R)-oxolan-3-yl]methyl]pyrazol-3-yl]-3-[(2R)-2-(1,3-thiazol-2-yl)propyl]urea?
1-[2-[[(3R)-oxolan-3-yl]methyl]pyrazol-3-yl]-3-[(2R)-2-(1,3-thiazol-2-yl)propyl]urea has a molecular weight of 335.43 g/mol, XLogP of 2.30, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[[(3R)-oxolan-3-yl]methyl]pyrazol-3-yl]-3-[(2R)-2-(1,3-thiazol-2-yl)propyl]urea is sourced from PubChem (CID 99713787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).