1-[[(2S,3R)-1-methyl-2-thiophen-2-ylpiperidin-3-yl]methyl]-3-(1,3-thiazol-2-yl)urea

C15H20N4OS2 — CID 129378110

IUPAC1-[[(2S,3R)-1-methyl-2-thiophen-2-ylpiperidin-3-yl]methyl]-3-(1,3-thiazol-2-yl)urea
SMILESCN1CCC[C@H](CNC(=O)Nc2nccs2)[C@H]1c1cccs1
InChIInChI=1S/C15H20N4OS2/c1-19-7-2-4-11(13(19)12-5-3-8-21-12)10-17-14(20)18-15-16-6-9-22-15/h3,5-6,8-9,11,13H,2,4,7,10H2,1H3,(H2,16,17,18,20)/t11-,13+/m1/s1
InChIKeyAKUGBXNTCMXDRE-YPMHNXCESA-N
MW336.49 g/mol
LogP3.41
Rot. Bonds4

About 1-[[(2S,3R)-1-methyl-2-thiophen-2-ylpiperidin-3-yl]methyl]-3-(1,3-thiazol-2-yl)urea

1-[[(2S,3R)-1-methyl-2-thiophen-2-ylpiperidin-3-yl]methyl]-3-(1,3-thiazol-2-yl)urea (PubChem CID 129378110) has the molecular formula C15H20N4OS2 and a molecular weight of 336.49 g/mol. Its IUPAC name is 1-[[(2S,3R)-1-methyl-2-thiophen-2-ylpiperidin-3-yl]methyl]-3-(1,3-thiazol-2-yl)urea.

Molecular Properties

Compound Name1-[[(2S,3R)-1-methyl-2-thiophen-2-ylpiperidin-3-yl]methyl]-3-(1,3-thiazol-2-yl)urea
PubChem CID129378110
Molecular FormulaC15H20N4OS2
Molecular Weight336.49 g/mol
Exact Mass336.11
IUPAC Name1-[[(2S,3R)-1-methyl-2-thiophen-2-ylpiperidin-3-yl]methyl]-3-(1,3-thiazol-2-yl)urea
SMILESCN1CCC[C@H](CNC(=O)Nc2nccs2)[C@H]1c1cccs1
InChIInChI=1S/C15H20N4OS2/c1-19-7-2-4-11(13(19)12-5-3-8-21-12)10-17-14(20)18-15-16-6-9-22-15/h3,5-6,8-9,11,13H,2,4,7,10H2,1H3,(H2,16,17,18,20)/t11-,13+/m1/s1
InChIKeyAKUGBXNTCMXDRE-YPMHNXCESA-N
XLogP3.41
TPSA57.26 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.49
LogP ≤ 53.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[(2S,3R)-1-methyl-2-thiophen-2-ylpiperidin-3-yl]methyl]-1H-pyrazole-5-carboxamide
CID 129378000
2,3-dihydroxy-N-[[(2R,3S)-1-methyl-2-thiophen-2-ylpiperidin-3-yl]methyl]benzamide
CID 124625545
3-[[N'-methyl-N-[(1-methyl-2-thiophen-2-ylpiperidin-3-yl)methyl]carbamimidoyl]amino]-N-(5-methyl-2-pyridinyl)propanamide
CID 111666022
6-chloro-3-[(1-methyl-2-thiophen-2-ylpiperidin-3-yl)methylamino]pyridazine-4-carboxamide
CID 133340874
3-(3-but-3-ynyldiazirin-3-yl)-N-[(1-methyl-2-thiophen-2-ylpiperidin-3-yl)methyl]propanamide
CID 167867938
N'-methyl-N-[(1-methyl-2-thiophen-2-ylpiperidin-3-yl)methyl]-1,3,3a,4,5,6,7,7a-octahydroisoindole-2-carboximidamide;hydroiodide
CID 109441562
1-methyl-5-oxo-N-(1,3-thiazol-2-yl)-2-thiophen-2-ylpyrrolidine-3-carboxamide
CID 75538089
1-methyl-N-[(1-methyl-2-thiophen-2-ylpiperidin-3-yl)methyl]-4,5-dihydroimidazol-2-amine;hydroiodide
CID 120971398
2-cyclohexyl-N-[2-[[N'-methyl-N-[(1-methyl-2-thiophen-2-ylpiperidin-3-yl)methyl]carbamimidoyl]amino]ethyl]acetamide;hydroiodide
CID 111666751
1-[2-cyclopropyl-2-(dimethylamino)ethyl]-2-methyl-3-[(1-methyl-2-thiophen-2-ylpiperidin-3-yl)methyl]guanidine
CID 111666158
2-methyl-1-[3-(4-methyl-1,3-thiazol-2-yl)propyl]-3-[(1-methyl-2-thiophen-2-ylpiperidin-3-yl)methyl]guanidine
CID 111667022
1-ethyl-3-[(1-methyl-2-thiophen-2-ylpiperidin-3-yl)methyl]-2-(1H-pyrazol-5-ylmethyl)guanidine;hydroiodide
CID 111666141

Frequently Asked Questions

What is the IUPAC name of 1-[[(2S,3R)-1-methyl-2-thiophen-2-ylpiperidin-3-yl]methyl]-3-(1,3-thiazol-2-yl)urea?
The IUPAC name of 1-[[(2S,3R)-1-methyl-2-thiophen-2-ylpiperidin-3-yl]methyl]-3-(1,3-thiazol-2-yl)urea (CID 129378110) is 1-[[(2S,3R)-1-methyl-2-thiophen-2-ylpiperidin-3-yl]methyl]-3-(1,3-thiazol-2-yl)urea.
What is the SMILES notation for 1-[[(2S,3R)-1-methyl-2-thiophen-2-ylpiperidin-3-yl]methyl]-3-(1,3-thiazol-2-yl)urea?
The canonical SMILES for 1-[[(2S,3R)-1-methyl-2-thiophen-2-ylpiperidin-3-yl]methyl]-3-(1,3-thiazol-2-yl)urea is CN1CCC[C@H](CNC(=O)Nc2nccs2)[C@H]1c1cccs1.
What is the InChIKey of 1-[[(2S,3R)-1-methyl-2-thiophen-2-ylpiperidin-3-yl]methyl]-3-(1,3-thiazol-2-yl)urea?
The InChIKey is AKUGBXNTCMXDRE-YPMHNXCESA-N. The full InChI is InChI=1S/C15H20N4OS2/c1-19-7-2-4-11(13(19)12-5-3-8-21-12)10-17-14(20)18-15-16-6-9-22-15/h3,5-6,8-9,11,13H,2,4,7,10H2,1H3,(H2,16,17,18,20)/t11-,13+/m1/s1.
What are the key properties of 1-[[(2S,3R)-1-methyl-2-thiophen-2-ylpiperidin-3-yl]methyl]-3-(1,3-thiazol-2-yl)urea?
1-[[(2S,3R)-1-methyl-2-thiophen-2-ylpiperidin-3-yl]methyl]-3-(1,3-thiazol-2-yl)urea has a molecular weight of 336.49 g/mol, XLogP of 3.41, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(2S,3R)-1-methyl-2-thiophen-2-ylpiperidin-3-yl]methyl]-3-(1,3-thiazol-2-yl)urea is sourced from PubChem (CID 129378110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).