N-[(2-methyl-1,3-thiazol-5-yl)methyl]-4-(oxolan-2-ylmethoxy)benzamide

C17H20N2O3S — CID 86825645

IUPACN-[(2-methyl-1,3-thiazol-5-yl)methyl]-4-(oxolan-2-ylmethoxy)benzamide
SMILESCc1ncc(CNC(=O)c2ccc(OCC3CCCO3)cc2)s1
InChIInChI=1S/C17H20N2O3S/c1-12-18-9-16(23-12)10-19-17(20)13-4-6-14(7-5-13)22-11-15-3-2-8-21-15/h4-7,9,15H,2-3,8,10-11H2,1H3,(H,19,20)
InChIKeyUIUKSYRCUSLIAA-UHFFFAOYSA-N
MW332.43 g/mol
LogP2.94
Rot. Bonds6

About N-[(2-methyl-1,3-thiazol-5-yl)methyl]-4-(oxolan-2-ylmethoxy)benzamide

N-[(2-methyl-1,3-thiazol-5-yl)methyl]-4-(oxolan-2-ylmethoxy)benzamide (PubChem CID 86825645) has the molecular formula C17H20N2O3S and a molecular weight of 332.43 g/mol. Its IUPAC name is N-[(2-methyl-1,3-thiazol-5-yl)methyl]-4-(oxolan-2-ylmethoxy)benzamide.

Molecular Properties

Compound NameN-[(2-methyl-1,3-thiazol-5-yl)methyl]-4-(oxolan-2-ylmethoxy)benzamide
PubChem CID86825645
Molecular FormulaC17H20N2O3S
Molecular Weight332.43 g/mol
Exact Mass332.12
IUPAC NameN-[(2-methyl-1,3-thiazol-5-yl)methyl]-4-(oxolan-2-ylmethoxy)benzamide
SMILESCc1ncc(CNC(=O)c2ccc(OCC3CCCO3)cc2)s1
InChIInChI=1S/C17H20N2O3S/c1-12-18-9-16(23-12)10-19-17(20)13-4-6-14(7-5-13)22-11-15-3-2-8-21-15/h4-7,9,15H,2-3,8,10-11H2,1H3,(H,19,20)
InChIKeyUIUKSYRCUSLIAA-UHFFFAOYSA-N
XLogP2.94
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.43
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2-methyl-1,3-thiazol-5-yl)methyl]-2-(oxolan-2-ylmethoxy)acetamide
CID 86868384
1-methyl-1-[(2-methyl-1,3-thiazol-5-yl)methyl]-3-[4-[[(2R)-oxolan-2-yl]methoxy]phenyl]urea
CID 52523294
4-(oxolan-2-ylmethoxy)-N-(1H-pyrazol-5-ylmethyl)benzamide
CID 91641650
N-(2-amino-2-ethylbutyl)-4-(oxolan-2-ylmethoxy)benzamide
CID 119641383
N-(2-amino-2-oxoethyl)-4-[[[4-(oxolan-2-ylmethoxy)benzoyl]amino]methyl]benzamide
CID 46494621
4-(oxolan-2-ylmethoxy)-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]benzamide
CID 55585097
5-methyl-N-[[4-[[(2S)-oxolan-2-yl]methoxy]phenyl]methyl]-1,2-oxazole-3-carboxamide
CID 94025887
4-methyl-N-[4-(oxolan-2-ylmethoxy)phenyl]benzamide
CID 4957909
N-[2-(cyclopropanecarbonylamino)ethyl]-4-(oxolan-2-ylmethoxy)benzamide
CID 51153011
N-[(3-bromo-5-fluorophenyl)methyl]-4-(oxolan-2-ylmethoxy)benzamide
CID 55907648
4-(oxolan-2-ylmethoxy)-N-[(4-sulfamoylphenyl)methyl]benzamide
CID 46560251
N'-benzoyl-4-[[(2R)-oxolan-2-yl]methoxy]benzohydrazide
CID 2093036

Frequently Asked Questions

What is the IUPAC name of N-[(2-methyl-1,3-thiazol-5-yl)methyl]-4-(oxolan-2-ylmethoxy)benzamide?
The IUPAC name of N-[(2-methyl-1,3-thiazol-5-yl)methyl]-4-(oxolan-2-ylmethoxy)benzamide (CID 86825645) is N-[(2-methyl-1,3-thiazol-5-yl)methyl]-4-(oxolan-2-ylmethoxy)benzamide.
What is the SMILES notation for N-[(2-methyl-1,3-thiazol-5-yl)methyl]-4-(oxolan-2-ylmethoxy)benzamide?
The canonical SMILES for N-[(2-methyl-1,3-thiazol-5-yl)methyl]-4-(oxolan-2-ylmethoxy)benzamide is Cc1ncc(CNC(=O)c2ccc(OCC3CCCO3)cc2)s1.
What is the InChIKey of N-[(2-methyl-1,3-thiazol-5-yl)methyl]-4-(oxolan-2-ylmethoxy)benzamide?
The InChIKey is UIUKSYRCUSLIAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O3S/c1-12-18-9-16(23-12)10-19-17(20)13-4-6-14(7-5-13)22-11-15-3-2-8-21-15/h4-7,9,15H,2-3,8,10-11H2,1H3,(H,19,20).
What are the key properties of N-[(2-methyl-1,3-thiazol-5-yl)methyl]-4-(oxolan-2-ylmethoxy)benzamide?
N-[(2-methyl-1,3-thiazol-5-yl)methyl]-4-(oxolan-2-ylmethoxy)benzamide has a molecular weight of 332.43 g/mol, XLogP of 2.94, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methyl-1,3-thiazol-5-yl)methyl]-4-(oxolan-2-ylmethoxy)benzamide is sourced from PubChem (CID 86825645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).