1-[1-(5-methyl-1H-pyrazol-3-yl)piperidin-4-yl]-3-[5-(oxan-4-yl)-1,3-thiazol-2-yl]urea

C18H26N6O2S — CID 138044983

IUPAC1-[1-(5-methyl-1H-pyrazol-3-yl)piperidin-4-yl]-3-[5-(oxan-4-yl)-1,3-thiazol-2-yl]urea
SMILESCc1cc(N2CCC(NC(=O)Nc3ncc(C4CCOCC4)s3)CC2)n[nH]1
InChIInChI=1S/C18H26N6O2S/c1-12-10-16(23-22-12)24-6-2-14(3-7-24)20-17(25)21-18-19-11-15(27-18)13-4-8-26-9-5-13/h10-11,13-14H,2-9H2,1H3,(H,22,23)(H2,19,20,21,25)
InChIKeyXDMVGCZONOETJC-UHFFFAOYSA-N
MW390.51 g/mol
LogP2.86
Rot. Bonds4

About 1-[1-(5-methyl-1H-pyrazol-3-yl)piperidin-4-yl]-3-[5-(oxan-4-yl)-1,3-thiazol-2-yl]urea

1-[1-(5-methyl-1H-pyrazol-3-yl)piperidin-4-yl]-3-[5-(oxan-4-yl)-1,3-thiazol-2-yl]urea (PubChem CID 138044983) has the molecular formula C18H26N6O2S and a molecular weight of 390.51 g/mol. Its IUPAC name is 1-[1-(5-methyl-1H-pyrazol-3-yl)piperidin-4-yl]-3-[5-(oxan-4-yl)-1,3-thiazol-2-yl]urea.

Molecular Properties

Compound Name1-[1-(5-methyl-1H-pyrazol-3-yl)piperidin-4-yl]-3-[5-(oxan-4-yl)-1,3-thiazol-2-yl]urea
PubChem CID138044983
Molecular FormulaC18H26N6O2S
Molecular Weight390.51 g/mol
Exact Mass390.18
IUPAC Name1-[1-(5-methyl-1H-pyrazol-3-yl)piperidin-4-yl]-3-[5-(oxan-4-yl)-1,3-thiazol-2-yl]urea
SMILESCc1cc(N2CCC(NC(=O)Nc3ncc(C4CCOCC4)s3)CC2)n[nH]1
InChIInChI=1S/C18H26N6O2S/c1-12-10-16(23-22-12)24-6-2-14(3-7-24)20-17(25)21-18-19-11-15(27-18)13-4-8-26-9-5-13/h10-11,13-14H,2-9H2,1H3,(H,22,23)(H2,19,20,21,25)
InChIKeyXDMVGCZONOETJC-UHFFFAOYSA-N
XLogP2.86
TPSA95.17 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.51
LogP ≤ 52.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 1-[1-(5-methyl-1H-pyrazol-3-yl)piperidin-4-yl]-3-[5-(oxan-4-yl)-1,3-thiazol-2-yl]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

1-(3-bicyclo[3.1.0]hexanyl)-3-[5-(oxan-4-yl)-1,3-thiazol-2-yl]urea
CID 128912506
1-[(1S)-2,2-dimethylcyclopropyl]-3-[5-(oxan-4-yl)-1,3-thiazol-2-yl]urea
CID 128789968
N-[1-(5-methyl-1H-pyrazol-3-yl)piperidin-4-yl]-4-morpholin-4-ylbenzamide
CID 91631942
1-(1-cyclopropyl-4-methylpyrrolidin-3-yl)-3-[1-(5-methyl-1H-pyrazol-3-yl)piperidin-4-yl]urea
CID 127997255
3-(4-fluorophenyl)-N-[1-(5-methyl-1H-pyrazol-3-yl)piperidin-4-yl]-1H-pyrazole-5-carboxamide
CID 91631956
N-[1-(5-methyl-1H-pyrazol-3-yl)piperidin-4-yl]-2,3-dihydro-1,4-benzodioxine-5-carboxamide
CID 91631941
1-cyclobutyl-3-(5-methyl-1,3-thiazol-2-yl)urea
CID 115617610
N-[1-(5-methyl-1H-pyrazol-3-yl)piperidin-4-yl]-1-phenylcyclopropane-1-carboxamide
CID 91631973
1-cyclohexyl-3-(5-methyl-1,3-thiazol-2-yl)urea
CID 16729615
(2S)-N-[1-(5-methyl-1H-pyrazol-3-yl)piperidin-4-yl]-2-phenoxypropanamide
CID 100743768
(2R)-N-[1-(5-methyl-1H-pyrazol-3-yl)piperidin-4-yl]-2-phenoxypropanamide
CID 100743783
3-methyl-1-[[5-(oxan-4-yl)-1,3-thiazol-2-yl]carbamoyl]pyrrolidine-3-carboxylic acid
CID 122094745

Frequently Asked Questions

What is the IUPAC name of 1-[1-(5-methyl-1H-pyrazol-3-yl)piperidin-4-yl]-3-[5-(oxan-4-yl)-1,3-thiazol-2-yl]urea?
The IUPAC name of 1-[1-(5-methyl-1H-pyrazol-3-yl)piperidin-4-yl]-3-[5-(oxan-4-yl)-1,3-thiazol-2-yl]urea (CID 138044983) is 1-[1-(5-methyl-1H-pyrazol-3-yl)piperidin-4-yl]-3-[5-(oxan-4-yl)-1,3-thiazol-2-yl]urea.
What is the SMILES notation for 1-[1-(5-methyl-1H-pyrazol-3-yl)piperidin-4-yl]-3-[5-(oxan-4-yl)-1,3-thiazol-2-yl]urea?
The canonical SMILES for 1-[1-(5-methyl-1H-pyrazol-3-yl)piperidin-4-yl]-3-[5-(oxan-4-yl)-1,3-thiazol-2-yl]urea is Cc1cc(N2CCC(NC(=O)Nc3ncc(C4CCOCC4)s3)CC2)n[nH]1.
What is the InChIKey of 1-[1-(5-methyl-1H-pyrazol-3-yl)piperidin-4-yl]-3-[5-(oxan-4-yl)-1,3-thiazol-2-yl]urea?
The InChIKey is XDMVGCZONOETJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N6O2S/c1-12-10-16(23-22-12)24-6-2-14(3-7-24)20-17(25)21-18-19-11-15(27-18)13-4-8-26-9-5-13/h10-11,13-14H,2-9H2,1H3,(H,22,23)(H2,19,20,21,25).
What are the key properties of 1-[1-(5-methyl-1H-pyrazol-3-yl)piperidin-4-yl]-3-[5-(oxan-4-yl)-1,3-thiazol-2-yl]urea?
1-[1-(5-methyl-1H-pyrazol-3-yl)piperidin-4-yl]-3-[5-(oxan-4-yl)-1,3-thiazol-2-yl]urea has a molecular weight of 390.51 g/mol, XLogP of 2.86, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(5-methyl-1H-pyrazol-3-yl)piperidin-4-yl]-3-[5-(oxan-4-yl)-1,3-thiazol-2-yl]urea is sourced from PubChem (CID 138044983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).