1-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]-3-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]urea

C15H23N5O2S — CID 111458083

IUPAC1-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]-3-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]urea
SMILESCC(C)c1nc(CNC(=O)NCC(C)(O)c2cnn(C)c2)cs1
InChIInChI=1S/C15H23N5O2S/c1-10(2)13-19-12(8-23-13)6-16-14(21)17-9-15(3,22)11-5-18-20(4)7-11/h5,7-8,10,22H,6,9H2,1-4H3,(H2,16,17,21)
InChIKeyYUTIJNDJLKLSSG-UHFFFAOYSA-N
MW337.45 g/mol
LogP1.71
Rot. Bonds6

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

1-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]-3-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]urea (PubChem CID 111458083) has the molecular formula C15H23N5O2S and a molecular weight of 337.45 g/mol. Its IUPAC name is 1-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]-3-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]urea.

Molecular Properties

Compound Name1-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]-3-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]urea
PubChem CID111458083
Molecular FormulaC15H23N5O2S
Molecular Weight337.45 g/mol
Exact Mass337.16
IUPAC Name1-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]-3-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]urea
SMILESCC(C)c1nc(CNC(=O)NCC(C)(O)c2cnn(C)c2)cs1
InChIInChI=1S/C15H23N5O2S/c1-10(2)13-19-12(8-23-13)6-16-14(21)17-9-15(3,22)11-5-18-20(4)7-11/h5,7-8,10,22H,6,9H2,1-4H3,(H2,16,17,21)
InChIKeyYUTIJNDJLKLSSG-UHFFFAOYSA-N
XLogP1.71
TPSA92.07 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.45
LogP ≤ 51.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 1-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]-3-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]urea with MolForge

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Related Compounds

1-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]-3-(2,2,4-trimethylpentyl)urea
CID 111927147
1-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]-3-(thiophen-3-ylmethyl)urea
CID 111458011
1-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]-3-prop-2-ynylurea
CID 111457956
1-[[4-(dimethylamino)phenyl]methyl]-3-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]urea
CID 111457906
N-[(2R)-2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]-3-propan-2-ylthiophene-2-carboxamide
CID 95776187
N-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]-2,2-dimethylpropanamide
CID 111458807
2-(1-methylpyrazol-4-yl)-1-[(2-phenyl-1,3-thiazol-4-yl)methylamino]propan-2-ol
CID 111457694
2-[(2-propan-2-yl-1,3-thiazol-4-yl)methylcarbamoylamino]acetic acid
CID 145463138
1-(1-cyclohexylethyl)-3-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]urea
CID 111481813
1-(dicyclopentylmethyl)-3-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]urea
CID 111458111
1-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]-3-(2-phenylbutyl)urea
CID 111459062
1-(3,5-dimethylphenyl)-3-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]urea
CID 111458903

Frequently Asked Questions

What is the IUPAC name of 1-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]-3-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]urea?
The IUPAC name of 1-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]-3-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]urea (CID 111458083) is 1-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]-3-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]urea.
What is the SMILES notation for 1-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]-3-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]urea?
The canonical SMILES for 1-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]-3-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]urea is CC(C)c1nc(CNC(=O)NCC(C)(O)c2cnn(C)c2)cs1.
What is the InChIKey of 1-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]-3-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]urea?
The InChIKey is YUTIJNDJLKLSSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N5O2S/c1-10(2)13-19-12(8-23-13)6-16-14(21)17-9-15(3,22)11-5-18-20(4)7-11/h5,7-8,10,22H,6,9H2,1-4H3,(H2,16,17,21).
What are the key properties of 1-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]-3-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]urea?
1-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]-3-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]urea has a molecular weight of 337.45 g/mol, XLogP of 1.71, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]-3-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]urea is sourced from PubChem (CID 111458083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).