1-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-1-methyl-3-[2-(4-phenyl-1,3-thiazol-2-yl)ethyl]urea

C20H25N5OS — CID 121495048

IUPAC1-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-1-methyl-3-[2-(4-phenyl-1,3-thiazol-2-yl)ethyl]urea
SMILESCCn1cc(CN(C)C(=O)NCCc2nc(-c3ccccc3)cs2)c(C)n1
InChIInChI=1S/C20H25N5OS/c1-4-25-13-17(15(2)23-25)12-24(3)20(26)21-11-10-19-22-18(14-27-19)16-8-6-5-7-9-16/h5-9,13-14H,4,10-12H2,1-3H3,(H,21,26)
InChIKeyBLOCRBNBEXCNFZ-UHFFFAOYSA-N
MW383.52 g/mol
LogP3.72
Rot. Bonds7

About 1-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-1-methyl-3-[2-(4-phenyl-1,3-thiazol-2-yl)ethyl]urea

1-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-1-methyl-3-[2-(4-phenyl-1,3-thiazol-2-yl)ethyl]urea (PubChem CID 121495048) has the molecular formula C20H25N5OS and a molecular weight of 383.52 g/mol. Its IUPAC name is 1-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-1-methyl-3-[2-(4-phenyl-1,3-thiazol-2-yl)ethyl]urea.

Molecular Properties

Compound Name1-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-1-methyl-3-[2-(4-phenyl-1,3-thiazol-2-yl)ethyl]urea
PubChem CID121495048
Molecular FormulaC20H25N5OS
Molecular Weight383.52 g/mol
Exact Mass383.18
IUPAC Name1-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-1-methyl-3-[2-(4-phenyl-1,3-thiazol-2-yl)ethyl]urea
SMILESCCn1cc(CN(C)C(=O)NCCc2nc(-c3ccccc3)cs2)c(C)n1
InChIInChI=1S/C20H25N5OS/c1-4-25-13-17(15(2)23-25)12-24(3)20(26)21-11-10-19-22-18(14-27-19)16-8-6-5-7-9-16/h5-9,13-14H,4,10-12H2,1-3H3,(H,21,26)
InChIKeyBLOCRBNBEXCNFZ-UHFFFAOYSA-N
XLogP3.72
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.52
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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CID 1497759
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CID 110442461
3-(4-methylpyrazol-1-yl)-N-[2-(4-phenyl-1,3-thiazol-2-yl)ethyl]propanamide
CID 90649319
N-[2-(4-phenyl-1,3-thiazol-2-yl)ethyl]pyrrole-1-carboxamide
CID 127045820
(2R)-3-(4-chloro-3,5-dimethylpyrazol-1-yl)-2-methyl-N-[2-(4-phenyl-1,3-thiazol-2-yl)ethyl]propanamide
CID 51597984
1-benzyl-3-[2-(4-phenyl-1,3-thiazol-2-yl)ethyl]urea
CID 127048003
N-[2-(4-phenyl-1,3-thiazol-2-yl)ethyl]-2-thiophen-2-ylacetamide
CID 110440328
N-[2-(4-phenyl-1,3-thiazol-2-yl)ethyl]propan-2-amine
CID 79016244
1-(1,3-dimethylpyrazol-4-yl)-2-(4-phenyl-1,3-thiazol-2-yl)ethanone
CID 102802826
2-(5-aminotetrazol-1-yl)-N-[2-(4-phenyl-1,3-thiazol-2-yl)ethyl]acetamide
CID 131902251
N-[2-(4-phenyl-1,3-thiazol-2-yl)ethyl]-4-(1,2,4-triazol-1-yl)butanamide
CID 77079887
3-methyl-N-[2-(4-phenyl-1,3-thiazol-2-yl)ethyl]-1-benzofuran-2-carboxamide
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Frequently Asked Questions

What is the IUPAC name of 1-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-1-methyl-3-[2-(4-phenyl-1,3-thiazol-2-yl)ethyl]urea?
The IUPAC name of 1-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-1-methyl-3-[2-(4-phenyl-1,3-thiazol-2-yl)ethyl]urea (CID 121495048) is 1-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-1-methyl-3-[2-(4-phenyl-1,3-thiazol-2-yl)ethyl]urea.
What is the SMILES notation for 1-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-1-methyl-3-[2-(4-phenyl-1,3-thiazol-2-yl)ethyl]urea?
The canonical SMILES for 1-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-1-methyl-3-[2-(4-phenyl-1,3-thiazol-2-yl)ethyl]urea is CCn1cc(CN(C)C(=O)NCCc2nc(-c3ccccc3)cs2)c(C)n1.
What is the InChIKey of 1-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-1-methyl-3-[2-(4-phenyl-1,3-thiazol-2-yl)ethyl]urea?
The InChIKey is BLOCRBNBEXCNFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N5OS/c1-4-25-13-17(15(2)23-25)12-24(3)20(26)21-11-10-19-22-18(14-27-19)16-8-6-5-7-9-16/h5-9,13-14H,4,10-12H2,1-3H3,(H,21,26).
What are the key properties of 1-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-1-methyl-3-[2-(4-phenyl-1,3-thiazol-2-yl)ethyl]urea?
1-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-1-methyl-3-[2-(4-phenyl-1,3-thiazol-2-yl)ethyl]urea has a molecular weight of 383.52 g/mol, XLogP of 3.72, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-1-methyl-3-[2-(4-phenyl-1,3-thiazol-2-yl)ethyl]urea is sourced from PubChem (CID 121495048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).