1-[(3-methylthiophen-2-yl)methyl]-3-[(2R)-1-pyrazol-1-ylpropan-2-yl]urea

C13H18N4OS — CID 94206368

IUPAC1-[(3-methylthiophen-2-yl)methyl]-3-[(2R)-1-pyrazol-1-ylpropan-2-yl]urea
SMILESCc1ccsc1CNC(=O)N[C@H](C)Cn1cccn1
InChIInChI=1S/C13H18N4OS/c1-10-4-7-19-12(10)8-14-13(18)16-11(2)9-17-6-3-5-15-17/h3-7,11H,8-9H2,1-2H3,(H2,14,16,18)/t11-/m1/s1
InChIKeyHQMBWPAZADKWOQ-LLVKDONJSA-N
MW278.38 g/mol
LogP2.14
Rot. Bonds5

About 1-[(3-methylthiophen-2-yl)methyl]-3-[(2R)-1-pyrazol-1-ylpropan-2-yl]urea

1-[(3-methylthiophen-2-yl)methyl]-3-[(2R)-1-pyrazol-1-ylpropan-2-yl]urea (PubChem CID 94206368) has the molecular formula C13H18N4OS and a molecular weight of 278.38 g/mol. Its IUPAC name is 1-[(3-methylthiophen-2-yl)methyl]-3-[(2R)-1-pyrazol-1-ylpropan-2-yl]urea.

Molecular Properties

Compound Name1-[(3-methylthiophen-2-yl)methyl]-3-[(2R)-1-pyrazol-1-ylpropan-2-yl]urea
PubChem CID94206368
Molecular FormulaC13H18N4OS
Molecular Weight278.38 g/mol
Exact Mass278.12
IUPAC Name1-[(3-methylthiophen-2-yl)methyl]-3-[(2R)-1-pyrazol-1-ylpropan-2-yl]urea
SMILESCc1ccsc1CNC(=O)N[C@H](C)Cn1cccn1
InChIInChI=1S/C13H18N4OS/c1-10-4-7-19-12(10)8-14-13(18)16-11(2)9-17-6-3-5-15-17/h3-7,11H,8-9H2,1-2H3,(H2,14,16,18)/t11-/m1/s1
InChIKeyHQMBWPAZADKWOQ-LLVKDONJSA-N
XLogP2.14
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.38
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-methyl-1-[(3-methylthiophen-2-yl)methyl]-3-[(2R)-1-pyrazol-1-ylpropan-2-yl]urea
CID 94101998
N-[(3-methylthiophen-2-yl)methyl]-2-pyrazol-1-ylpropanamide
CID 47163720
1-(5-methylhexan-2-yl)-3-[(3-methylthiophen-2-yl)methyl]urea
CID 78880733
1-[(6-methyl-3-pyridinyl)methyl]-3-[(2R)-1-pyrazol-1-ylpropan-2-yl]urea
CID 94101958
1-(4-methylphenyl)-3-[(2R)-1-pyrazol-1-ylpropan-2-yl]urea
CID 94116600
1-(4-hydroxy-3-methylbutan-2-yl)-3-[(3-methylthiophen-2-yl)methyl]urea
CID 111454882
1-[(6-propan-2-yloxy-3-pyridinyl)methyl]-3-[(2R)-1-pyrazol-1-ylpropan-2-yl]urea
CID 94206278
1-[[2-(dimethylamino)-4-pyridinyl]methyl]-3-(1-pyrazol-1-ylpropan-2-yl)urea
CID 71894772
N-[(3-methylthiophen-2-yl)methyl]-3-(pyrazol-1-ylmethyl)benzamide
CID 50956025
2-amino-6-methyl-N-(1-pyrazol-1-ylpropan-2-yl)benzamide
CID 61459501
1-[2-(5-chlorothiophen-2-yl)ethyl]-3-[(2S)-1-pyrazol-1-ylpropan-2-yl]urea
CID 94101959
1-[(2R)-1-pyrazol-1-ylpropan-2-yl]-3-[[2-(trifluoromethoxy)phenyl]methyl]urea
CID 94028861

Frequently Asked Questions

What is the IUPAC name of 1-[(3-methylthiophen-2-yl)methyl]-3-[(2R)-1-pyrazol-1-ylpropan-2-yl]urea?
The IUPAC name of 1-[(3-methylthiophen-2-yl)methyl]-3-[(2R)-1-pyrazol-1-ylpropan-2-yl]urea (CID 94206368) is 1-[(3-methylthiophen-2-yl)methyl]-3-[(2R)-1-pyrazol-1-ylpropan-2-yl]urea.
What is the SMILES notation for 1-[(3-methylthiophen-2-yl)methyl]-3-[(2R)-1-pyrazol-1-ylpropan-2-yl]urea?
The canonical SMILES for 1-[(3-methylthiophen-2-yl)methyl]-3-[(2R)-1-pyrazol-1-ylpropan-2-yl]urea is Cc1ccsc1CNC(=O)N[C@H](C)Cn1cccn1.
What is the InChIKey of 1-[(3-methylthiophen-2-yl)methyl]-3-[(2R)-1-pyrazol-1-ylpropan-2-yl]urea?
The InChIKey is HQMBWPAZADKWOQ-LLVKDONJSA-N. The full InChI is InChI=1S/C13H18N4OS/c1-10-4-7-19-12(10)8-14-13(18)16-11(2)9-17-6-3-5-15-17/h3-7,11H,8-9H2,1-2H3,(H2,14,16,18)/t11-/m1/s1.
What are the key properties of 1-[(3-methylthiophen-2-yl)methyl]-3-[(2R)-1-pyrazol-1-ylpropan-2-yl]urea?
1-[(3-methylthiophen-2-yl)methyl]-3-[(2R)-1-pyrazol-1-ylpropan-2-yl]urea has a molecular weight of 278.38 g/mol, XLogP of 2.14, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-methylthiophen-2-yl)methyl]-3-[(2R)-1-pyrazol-1-ylpropan-2-yl]urea is sourced from PubChem (CID 94206368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).