1-[(1-methylpyrazol-4-yl)methyl]-3-[2-(thiomorpholin-4-ylmethyl)phenyl]urea

C17H23N5OS — CID 49119029

IUPAC1-[(1-methylpyrazol-4-yl)methyl]-3-[2-(thiomorpholin-4-ylmethyl)phenyl]urea
SMILESCn1cc(CNC(=O)Nc2ccccc2CN2CCSCC2)cn1
InChIInChI=1S/C17H23N5OS/c1-21-12-14(11-19-21)10-18-17(23)20-16-5-3-2-4-15(16)13-22-6-8-24-9-7-22/h2-5,11-12H,6-10,13H2,1H3,(H2,18,20,23)
InChIKeyOQVQBKQQMKGAAF-UHFFFAOYSA-N
MW345.47 g/mol
LogP2.29
Rot. Bonds5

About 1-[(1-methylpyrazol-4-yl)methyl]-3-[2-(thiomorpholin-4-ylmethyl)phenyl]urea

1-[(1-methylpyrazol-4-yl)methyl]-3-[2-(thiomorpholin-4-ylmethyl)phenyl]urea (PubChem CID 49119029) has the molecular formula C17H23N5OS and a molecular weight of 345.47 g/mol. Its IUPAC name is 1-[(1-methylpyrazol-4-yl)methyl]-3-[2-(thiomorpholin-4-ylmethyl)phenyl]urea.

Molecular Properties

Compound Name1-[(1-methylpyrazol-4-yl)methyl]-3-[2-(thiomorpholin-4-ylmethyl)phenyl]urea
PubChem CID49119029
Molecular FormulaC17H23N5OS
Molecular Weight345.47 g/mol
Exact Mass345.16
IUPAC Name1-[(1-methylpyrazol-4-yl)methyl]-3-[2-(thiomorpholin-4-ylmethyl)phenyl]urea
SMILESCn1cc(CNC(=O)Nc2ccccc2CN2CCSCC2)cn1
InChIInChI=1S/C17H23N5OS/c1-21-12-14(11-19-21)10-18-17(23)20-16-5-3-2-4-15(16)13-22-6-8-24-9-7-22/h2-5,11-12H,6-10,13H2,1H3,(H2,18,20,23)
InChIKeyOQVQBKQQMKGAAF-UHFFFAOYSA-N
XLogP2.29
TPSA62.19 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.47
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-[(1-methylpyrazol-4-yl)methyl]-3-[2-(thiomorpholin-4-ylmethyl)phenyl]urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[2-[(1-methylpyrazol-4-yl)methylcarbamoylamino]phenyl]acetic acid
CID 62534232
1-[(3-methoxyphenyl)methyl]-3-[2-(thiomorpholin-4-ylmethyl)phenyl]urea
CID 49119455
1-[3-(N-methylanilino)propyl]-3-[2-(thiomorpholin-4-ylmethyl)phenyl]urea
CID 60606672
N-[(1-methylpyrazol-4-yl)methyl]-2-(morpholin-4-ylmethyl)aniline;2,2,2-trifluoroacetic acid
CID 154885495
1-benzyl-3-[2-[(4-benzylpiperidin-1-yl)methyl]phenyl]urea
CID 11133428
1-(1-benzylpyrazol-4-yl)-3-[(1-methylpyrazol-4-yl)methyl]urea
CID 56818896
N-[2-[[2-(1-methylpyrazol-4-yl)ethylamino]methyl]phenyl]acetamide
CID 80681991
2-bromo-N-[2-(thiomorpholin-4-ylmethyl)phenyl]benzamide
CID 49005061
4-(methylamino)-N-[2-(thiomorpholin-4-ylmethyl)phenyl]butanamide;dihydrochloride
CID 119869698
2-ethyl-N-[(1-methylpyrazol-4-yl)methyl]aniline
CID 28600445
4-amino-N-[2-(thiomorpholin-4-ylmethyl)phenyl]butanamide;dihydrochloride
CID 119869740
1-[[2-(1-methylpyrazol-4-yl)phenyl]methyl]-3-[2-[(2-oxoimidazolidin-1-yl)methyl]phenyl]urea
CID 166211641

Frequently Asked Questions

What is the IUPAC name of 1-[(1-methylpyrazol-4-yl)methyl]-3-[2-(thiomorpholin-4-ylmethyl)phenyl]urea?
The IUPAC name of 1-[(1-methylpyrazol-4-yl)methyl]-3-[2-(thiomorpholin-4-ylmethyl)phenyl]urea (CID 49119029) is 1-[(1-methylpyrazol-4-yl)methyl]-3-[2-(thiomorpholin-4-ylmethyl)phenyl]urea.
What is the SMILES notation for 1-[(1-methylpyrazol-4-yl)methyl]-3-[2-(thiomorpholin-4-ylmethyl)phenyl]urea?
The canonical SMILES for 1-[(1-methylpyrazol-4-yl)methyl]-3-[2-(thiomorpholin-4-ylmethyl)phenyl]urea is Cn1cc(CNC(=O)Nc2ccccc2CN2CCSCC2)cn1.
What is the InChIKey of 1-[(1-methylpyrazol-4-yl)methyl]-3-[2-(thiomorpholin-4-ylmethyl)phenyl]urea?
The InChIKey is OQVQBKQQMKGAAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N5OS/c1-21-12-14(11-19-21)10-18-17(23)20-16-5-3-2-4-15(16)13-22-6-8-24-9-7-22/h2-5,11-12H,6-10,13H2,1H3,(H2,18,20,23).
What are the key properties of 1-[(1-methylpyrazol-4-yl)methyl]-3-[2-(thiomorpholin-4-ylmethyl)phenyl]urea?
1-[(1-methylpyrazol-4-yl)methyl]-3-[2-(thiomorpholin-4-ylmethyl)phenyl]urea has a molecular weight of 345.47 g/mol, XLogP of 2.29, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-methylpyrazol-4-yl)methyl]-3-[2-(thiomorpholin-4-ylmethyl)phenyl]urea is sourced from PubChem (CID 49119029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).