1-[(1R)-1-pyridin-4-ylpropyl]-3-[1-(1,3-thiazol-2-yl)piperidin-4-yl]urea

C17H23N5OS — CID 129433866

IUPAC1-[(1R)-1-pyridin-4-ylpropyl]-3-[1-(1,3-thiazol-2-yl)piperidin-4-yl]urea
SMILESCC[C@@H](NC(=O)NC1CCN(c2nccs2)CC1)c1ccncc1
InChIInChI=1S/C17H23N5OS/c1-2-15(13-3-7-18-8-4-13)21-16(23)20-14-5-10-22(11-6-14)17-19-9-12-24-17/h3-4,7-9,12,14-15H,2,5-6,10-11H2,1H3,(H2,20,21,23)/t15-/m1/s1
InChIKeyULPGCLWQLOQBDL-OAHLLOKOSA-N
MW345.47 g/mol
LogP2.96
Rot. Bonds5

About 1-[(1R)-1-pyridin-4-ylpropyl]-3-[1-(1,3-thiazol-2-yl)piperidin-4-yl]urea

1-[(1R)-1-pyridin-4-ylpropyl]-3-[1-(1,3-thiazol-2-yl)piperidin-4-yl]urea (PubChem CID 129433866) has the molecular formula C17H23N5OS and a molecular weight of 345.47 g/mol. Its IUPAC name is 1-[(1R)-1-pyridin-4-ylpropyl]-3-[1-(1,3-thiazol-2-yl)piperidin-4-yl]urea.

Molecular Properties

Compound Name1-[(1R)-1-pyridin-4-ylpropyl]-3-[1-(1,3-thiazol-2-yl)piperidin-4-yl]urea
PubChem CID129433866
Molecular FormulaC17H23N5OS
Molecular Weight345.47 g/mol
Exact Mass345.16
IUPAC Name1-[(1R)-1-pyridin-4-ylpropyl]-3-[1-(1,3-thiazol-2-yl)piperidin-4-yl]urea
SMILESCC[C@@H](NC(=O)NC1CCN(c2nccs2)CC1)c1ccncc1
InChIInChI=1S/C17H23N5OS/c1-2-15(13-3-7-18-8-4-13)21-16(23)20-14-5-10-22(11-6-14)17-19-9-12-24-17/h3-4,7-9,12,14-15H,2,5-6,10-11H2,1H3,(H2,20,21,23)/t15-/m1/s1
InChIKeyULPGCLWQLOQBDL-OAHLLOKOSA-N
XLogP2.96
TPSA70.15 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 ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-[(1R)-1-pyridin-4-ylpropyl]-3-[1-(1,3-thiazol-2-yl)piperidin-4-yl]urea with MolForge

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Related Compounds

1-(4-chlorophenyl)-3-[1-(1,3-thiazol-2-yl)piperidin-4-yl]urea
CID 90597446
1-propyl-3-[1-(1,3-thiazol-2-yl)pyrrolidin-3-yl]urea
CID 121144831
1-(1,3-benzodioxol-5-yl)-3-[1-(1,3-thiazol-2-yl)piperidin-4-yl]urea
CID 90597467
1-cyclobutyl-3-(1-phenylpropyl)urea
CID 113233155
2-methylsulfanyl-N-[1-(1,3-thiazol-2-yl)piperidin-4-yl]benzamide
CID 90597201
N-[3-[[1-(1,3-thiazol-2-yl)piperidin-4-yl]amino]phenyl]propanamide
CID 75516708
4-butoxy-N-[1-(1,3-thiazol-2-yl)piperidin-4-yl]benzamide
CID 90597226
3-(3-methylthiophen-2-yl)-N-[1-(1,3-thiazol-2-yl)piperidin-4-yl]propanamide
CID 90597292
1-cyclopropyl-3-(1-pyridin-4-ylethyl)urea
CID 115575131
(2R)-1-[[1-(1,3-thiazol-2-yl)piperidin-4-yl]amino]propan-2-ol
CID 103906927
(2S)-1-[[1-(1,3-thiazol-2-yl)piperidin-4-yl]amino]propan-2-ol
CID 103906591
ethyl 4-[[1-(1,3-thiazol-2-yl)piperidin-4-yl]amino]piperidine-1-carboxylate
CID 75519126

Frequently Asked Questions

What is the IUPAC name of 1-[(1R)-1-pyridin-4-ylpropyl]-3-[1-(1,3-thiazol-2-yl)piperidin-4-yl]urea?
The IUPAC name of 1-[(1R)-1-pyridin-4-ylpropyl]-3-[1-(1,3-thiazol-2-yl)piperidin-4-yl]urea (CID 129433866) is 1-[(1R)-1-pyridin-4-ylpropyl]-3-[1-(1,3-thiazol-2-yl)piperidin-4-yl]urea.
What is the SMILES notation for 1-[(1R)-1-pyridin-4-ylpropyl]-3-[1-(1,3-thiazol-2-yl)piperidin-4-yl]urea?
The canonical SMILES for 1-[(1R)-1-pyridin-4-ylpropyl]-3-[1-(1,3-thiazol-2-yl)piperidin-4-yl]urea is CC[C@@H](NC(=O)NC1CCN(c2nccs2)CC1)c1ccncc1.
What is the InChIKey of 1-[(1R)-1-pyridin-4-ylpropyl]-3-[1-(1,3-thiazol-2-yl)piperidin-4-yl]urea?
The InChIKey is ULPGCLWQLOQBDL-OAHLLOKOSA-N. The full InChI is InChI=1S/C17H23N5OS/c1-2-15(13-3-7-18-8-4-13)21-16(23)20-14-5-10-22(11-6-14)17-19-9-12-24-17/h3-4,7-9,12,14-15H,2,5-6,10-11H2,1H3,(H2,20,21,23)/t15-/m1/s1.
What are the key properties of 1-[(1R)-1-pyridin-4-ylpropyl]-3-[1-(1,3-thiazol-2-yl)piperidin-4-yl]urea?
1-[(1R)-1-pyridin-4-ylpropyl]-3-[1-(1,3-thiazol-2-yl)piperidin-4-yl]urea has a molecular weight of 345.47 g/mol, XLogP of 2.96, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R)-1-pyridin-4-ylpropyl]-3-[1-(1,3-thiazol-2-yl)piperidin-4-yl]urea is sourced from PubChem (CID 129433866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).