N-[1-[[(3S)-oxolan-3-yl]methyl]piperidin-4-yl]-2-phenyl-1,3-thiazole-4-carboxamide

C20H25N3O2S — CID 99640785

IUPACN-[1-[[(3S)-oxolan-3-yl]methyl]piperidin-4-yl]-2-phenyl-1,3-thiazole-4-carboxamide
SMILESO=C(NC1CCN(C[C@@H]2CCOC2)CC1)c1csc(-c2ccccc2)n1
InChIInChI=1S/C20H25N3O2S/c24-19(18-14-26-20(22-18)16-4-2-1-3-5-16)21-17-6-9-23(10-7-17)12-15-8-11-25-13-15/h1-5,14-15,17H,6-13H2,(H,21,24)/t15-/m0/s1
InChIKeyOEXHWVIWNHSJPR-HNNXBMFYSA-N
MW371.51 g/mol
LogP3.04
Rot. Bonds5

About N-[1-[[(3S)-oxolan-3-yl]methyl]piperidin-4-yl]-2-phenyl-1,3-thiazole-4-carboxamide

N-[1-[[(3S)-oxolan-3-yl]methyl]piperidin-4-yl]-2-phenyl-1,3-thiazole-4-carboxamide (PubChem CID 99640785) has the molecular formula C20H25N3O2S and a molecular weight of 371.51 g/mol. Its IUPAC name is N-[1-[[(3S)-oxolan-3-yl]methyl]piperidin-4-yl]-2-phenyl-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-[1-[[(3S)-oxolan-3-yl]methyl]piperidin-4-yl]-2-phenyl-1,3-thiazole-4-carboxamide
PubChem CID99640785
Molecular FormulaC20H25N3O2S
Molecular Weight371.51 g/mol
Exact Mass371.17
IUPAC NameN-[1-[[(3S)-oxolan-3-yl]methyl]piperidin-4-yl]-2-phenyl-1,3-thiazole-4-carboxamide
SMILESO=C(NC1CCN(C[C@@H]2CCOC2)CC1)c1csc(-c2ccccc2)n1
InChIInChI=1S/C20H25N3O2S/c24-19(18-14-26-20(22-18)16-4-2-1-3-5-16)21-17-6-9-23(10-7-17)12-15-8-11-25-13-15/h1-5,14-15,17H,6-13H2,(H,21,24)/t15-/m0/s1
InChIKeyOEXHWVIWNHSJPR-HNNXBMFYSA-N
XLogP3.04
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.51
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[1-[[(3S)-oxolan-3-yl]methyl]piperidin-4-yl]-2-phenyl-1,3-thiazole-4-carboxamide with MolForge

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Related Compounds

4-methyl-N-[1-(oxolan-3-ylmethyl)piperidin-4-yl]-2-phenyl-1,3-thiazole-5-carboxamide
CID 126766581
N-(1-benzylpiperidin-4-yl)-2-(4-methylphenyl)-1,3-thiazole-4-carboxamide
CID 27673424
N-(4-hydroxycyclohexyl)-2-phenyl-1,3-thiazole-4-carboxamide
CID 78810994
4-[(2-phenyl-1,3-thiazole-4-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 119229160
N-(1-benzylpyrrolidin-3-yl)-2-(4-methylphenyl)-1,3-thiazole-4-carboxamide
CID 18291363
2-phenyl-N-pyrrolidin-3-yl-1,3-thiazole-4-carboxamide
CID 119453994
2-phenyl-N-[(5R)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-5-yl]-1,3-thiazole-4-carboxamide
CID 124759639
N-(2-morpholin-4-ylethyl)-2-phenyl-1,3-thiazole-4-carboxamide
CID 51253349
N-[1-(4-ethoxybenzoyl)piperidin-4-yl]-2-phenyl-1,3-thiazole-4-carboxamide
CID 112804151
2-(4-fluorophenyl)-N-[1-(2-methylpropyl)piperidin-4-yl]-1,3-thiazole-4-carboxamide
CID 78858936
3-amino-N-[1-(oxolan-3-ylmethyl)piperidin-4-yl]-3-phenylpropanamide
CID 119953980
N-(8-azabicyclo[3.2.1]octan-3-yl)-2-phenyl-1,3-thiazole-4-carboxamide;dihydrochloride
CID 119459274

Frequently Asked Questions

What is the IUPAC name of N-[1-[[(3S)-oxolan-3-yl]methyl]piperidin-4-yl]-2-phenyl-1,3-thiazole-4-carboxamide?
The IUPAC name of N-[1-[[(3S)-oxolan-3-yl]methyl]piperidin-4-yl]-2-phenyl-1,3-thiazole-4-carboxamide (CID 99640785) is N-[1-[[(3S)-oxolan-3-yl]methyl]piperidin-4-yl]-2-phenyl-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-[1-[[(3S)-oxolan-3-yl]methyl]piperidin-4-yl]-2-phenyl-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-[1-[[(3S)-oxolan-3-yl]methyl]piperidin-4-yl]-2-phenyl-1,3-thiazole-4-carboxamide is O=C(NC1CCN(C[C@@H]2CCOC2)CC1)c1csc(-c2ccccc2)n1.
What is the InChIKey of N-[1-[[(3S)-oxolan-3-yl]methyl]piperidin-4-yl]-2-phenyl-1,3-thiazole-4-carboxamide?
The InChIKey is OEXHWVIWNHSJPR-HNNXBMFYSA-N. The full InChI is InChI=1S/C20H25N3O2S/c24-19(18-14-26-20(22-18)16-4-2-1-3-5-16)21-17-6-9-23(10-7-17)12-15-8-11-25-13-15/h1-5,14-15,17H,6-13H2,(H,21,24)/t15-/m0/s1.
What are the key properties of N-[1-[[(3S)-oxolan-3-yl]methyl]piperidin-4-yl]-2-phenyl-1,3-thiazole-4-carboxamide?
N-[1-[[(3S)-oxolan-3-yl]methyl]piperidin-4-yl]-2-phenyl-1,3-thiazole-4-carboxamide has a molecular weight of 371.51 g/mol, XLogP of 3.04, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[[(3S)-oxolan-3-yl]methyl]piperidin-4-yl]-2-phenyl-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 99640785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).