2-[4-(difluoromethoxy)phenyl]-N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]acetamide

C18H21F2N3O2S — CID 30183810

IUPAC2-[4-(difluoromethoxy)phenyl]-N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]acetamide
SMILESO=C(Cc1ccc(OC(F)F)cc1)Nc1nc(CN2CCCCC2)cs1
InChIInChI=1S/C18H21F2N3O2S/c19-17(20)25-15-6-4-13(5-7-15)10-16(24)22-18-21-14(12-26-18)11-23-8-2-1-3-9-23/h4-7,12,17H,1-3,8-11H2,(H,21,22,24)
InChIKeyMBHUTRXCZWCVNY-UHFFFAOYSA-N
MW381.45 g/mol
LogP3.91
Rot. Bonds7

About 2-[4-(difluoromethoxy)phenyl]-N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]acetamide

2-[4-(difluoromethoxy)phenyl]-N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]acetamide (PubChem CID 30183810) has the molecular formula C18H21F2N3O2S and a molecular weight of 381.45 g/mol. Its IUPAC name is 2-[4-(difluoromethoxy)phenyl]-N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]acetamide.

Molecular Properties

Compound Name2-[4-(difluoromethoxy)phenyl]-N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]acetamide
PubChem CID30183810
Molecular FormulaC18H21F2N3O2S
Molecular Weight381.45 g/mol
Exact Mass381.13
IUPAC Name2-[4-(difluoromethoxy)phenyl]-N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]acetamide
SMILESO=C(Cc1ccc(OC(F)F)cc1)Nc1nc(CN2CCCCC2)cs1
InChIInChI=1S/C18H21F2N3O2S/c19-17(20)25-15-6-4-13(5-7-15)10-16(24)22-18-21-14(12-26-18)11-23-8-2-1-3-9-23/h4-7,12,17H,1-3,8-11H2,(H,21,22,24)
InChIKeyMBHUTRXCZWCVNY-UHFFFAOYSA-N
XLogP3.91
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.45
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(5-methoxy-2-pyridinyl)-N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]acetamide
CID 122132280
2-(4-hydroxyphenyl)-N-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]acetamide
CID 78837285
4-methoxy-N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]benzamide
CID 30182781
N-[4-[2-oxo-2-[[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]amino]ethyl]-1,3-thiazol-2-yl]furan-2-carboxamide
CID 46699089
N-[4-[4-(difluoromethoxy)phenyl]-1,3-thiazol-2-yl]-5-(pyrrolidin-1-ylmethyl)furan-2-carboxamide
CID 19414202
2-(4-benzoylphenoxy)-N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]acetamide
CID 30183028
N-[4-(azepan-1-ylmethyl)-1,3-thiazol-2-yl]-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 75498849
2-(2,5-dimethyl-1,3-thiazol-4-yl)-N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]acetamide
CID 146127731
1-amino-N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]cyclohexane-1-carboxamide
CID 120606542
N-[4-[(2,6-dimethylmorpholin-4-yl)methyl]-1,3-thiazol-2-yl]-2-(4-methoxyphenyl)acetamide
CID 51324177
4-(4-ethoxyphenyl)-4-oxo-N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]butanamide
CID 30182868
4-(difluoromethoxy)-N-[4-[[(2S,6S)-2,6-dimethylmorpholin-4-yl]methyl]-1,3-thiazol-2-yl]benzamide
CID 25487753

Frequently Asked Questions

What is the IUPAC name of 2-[4-(difluoromethoxy)phenyl]-N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]acetamide?
The IUPAC name of 2-[4-(difluoromethoxy)phenyl]-N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]acetamide (CID 30183810) is 2-[4-(difluoromethoxy)phenyl]-N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]acetamide.
What is the SMILES notation for 2-[4-(difluoromethoxy)phenyl]-N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]acetamide?
The canonical SMILES for 2-[4-(difluoromethoxy)phenyl]-N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]acetamide is O=C(Cc1ccc(OC(F)F)cc1)Nc1nc(CN2CCCCC2)cs1.
What is the InChIKey of 2-[4-(difluoromethoxy)phenyl]-N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]acetamide?
The InChIKey is MBHUTRXCZWCVNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21F2N3O2S/c19-17(20)25-15-6-4-13(5-7-15)10-16(24)22-18-21-14(12-26-18)11-23-8-2-1-3-9-23/h4-7,12,17H,1-3,8-11H2,(H,21,22,24).
What are the key properties of 2-[4-(difluoromethoxy)phenyl]-N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]acetamide?
2-[4-(difluoromethoxy)phenyl]-N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]acetamide has a molecular weight of 381.45 g/mol, XLogP of 3.91, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(difluoromethoxy)phenyl]-N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 30183810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).