1-[(2S)-2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]-3-(1H-pyrazol-5-ylmethyl)urea

C17H25N5OS — CID 94173591

IUPAC1-[(2S)-2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]-3-(1H-pyrazol-5-ylmethyl)urea
SMILESCC1CCN([C@@H](CNC(=O)NCc2ccn[nH]2)c2cccs2)CC1
InChIInChI=1S/C17H25N5OS/c1-13-5-8-22(9-6-13)15(16-3-2-10-24-16)12-19-17(23)18-11-14-4-7-20-21-14/h2-4,7,10,13,15H,5-6,8-9,11-12H2,1H3,(H,20,21)(H2,18,19,23)/t15-/m0/s1
InChIKeyJXEHUCMJQRDXNV-HNNXBMFYSA-N
MW347.49 g/mol
LogP2.74
Rot. Bonds6

About 1-[(2S)-2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]-3-(1H-pyrazol-5-ylmethyl)urea

1-[(2S)-2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]-3-(1H-pyrazol-5-ylmethyl)urea (PubChem CID 94173591) has the molecular formula C17H25N5OS and a molecular weight of 347.49 g/mol. Its IUPAC name is 1-[(2S)-2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]-3-(1H-pyrazol-5-ylmethyl)urea.

Molecular Properties

Compound Name1-[(2S)-2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]-3-(1H-pyrazol-5-ylmethyl)urea
PubChem CID94173591
Molecular FormulaC17H25N5OS
Molecular Weight347.49 g/mol
Exact Mass347.18
IUPAC Name1-[(2S)-2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]-3-(1H-pyrazol-5-ylmethyl)urea
SMILESCC1CCN([C@@H](CNC(=O)NCc2ccn[nH]2)c2cccs2)CC1
InChIInChI=1S/C17H25N5OS/c1-13-5-8-22(9-6-13)15(16-3-2-10-24-16)12-19-17(23)18-11-14-4-7-20-21-14/h2-4,7,10,13,15H,5-6,8-9,11-12H2,1H3,(H,20,21)(H2,18,19,23)/t15-/m0/s1
InChIKeyJXEHUCMJQRDXNV-HNNXBMFYSA-N
XLogP2.74
TPSA73.05 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.49
LogP ≤ 52.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 1-[(2S)-2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]-3-(1H-pyrazol-5-ylmethyl)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-methyl-1-[2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]-3-(1H-pyrazol-5-ylmethyl)guanidine
CID 111323216
N-[2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]pyridine-2-carboxamide
CID 43006358
N-[2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]benzamide
CID 43006371
1-[2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]-3-(2-pyrazol-1-yl-3-pyridinyl)urea
CID 47041210
2-(2-methoxyphenyl)-N-[2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]acetamide
CID 43006350
2-[[2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]carbamoylamino]-N-(2,4,6-trimethylphenyl)acetamide
CID 75865101
3-amino-N-[2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]butanamide
CID 119830777
2-(4,4-diethyl-2,5-dioxoimidazolidin-1-yl)-N-[2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]acetamide
CID 112763595
1-[(4-methylphenyl)-thiophen-2-ylmethyl]-3-(1H-pyrazol-5-ylmethyl)urea
CID 51083728
4-amino-N-[2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]butanamide;dihydrochloride
CID 119830784
(2S)-N-[(2S)-2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]-2-(1,2,4-triazol-1-yl)propanamide
CID 94042765
2-methyl-N-[2-[[N'-methyl-N-[2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]carbamimidoyl]amino]ethyl]propanamide
CID 111323370

Frequently Asked Questions

What is the IUPAC name of 1-[(2S)-2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]-3-(1H-pyrazol-5-ylmethyl)urea?
The IUPAC name of 1-[(2S)-2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]-3-(1H-pyrazol-5-ylmethyl)urea (CID 94173591) is 1-[(2S)-2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]-3-(1H-pyrazol-5-ylmethyl)urea.
What is the SMILES notation for 1-[(2S)-2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]-3-(1H-pyrazol-5-ylmethyl)urea?
The canonical SMILES for 1-[(2S)-2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]-3-(1H-pyrazol-5-ylmethyl)urea is CC1CCN([C@@H](CNC(=O)NCc2ccn[nH]2)c2cccs2)CC1.
What is the InChIKey of 1-[(2S)-2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]-3-(1H-pyrazol-5-ylmethyl)urea?
The InChIKey is JXEHUCMJQRDXNV-HNNXBMFYSA-N. The full InChI is InChI=1S/C17H25N5OS/c1-13-5-8-22(9-6-13)15(16-3-2-10-24-16)12-19-17(23)18-11-14-4-7-20-21-14/h2-4,7,10,13,15H,5-6,8-9,11-12H2,1H3,(H,20,21)(H2,18,19,23)/t15-/m0/s1.
What are the key properties of 1-[(2S)-2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]-3-(1H-pyrazol-5-ylmethyl)urea?
1-[(2S)-2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]-3-(1H-pyrazol-5-ylmethyl)urea has a molecular weight of 347.49 g/mol, XLogP of 2.74, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S)-2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]-3-(1H-pyrazol-5-ylmethyl)urea is sourced from PubChem (CID 94173591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).