2-methoxy-N-[5-(oxan-4-yl)-1,3-thiazol-2-yl]benzamide

C16H18N2O3S — CID 167932235

IUPAC2-methoxy-N-[5-(oxan-4-yl)-1,3-thiazol-2-yl]benzamide
SMILESCOc1ccccc1C(=O)Nc1ncc(C2CCOCC2)s1
InChIInChI=1S/C16H18N2O3S/c1-20-13-5-3-2-4-12(13)15(19)18-16-17-10-14(22-16)11-6-8-21-9-7-11/h2-5,10-11H,6-9H2,1H3,(H,17,18,19)
InChIKeyVWZJVOBIILGABN-UHFFFAOYSA-N
MW318.40 g/mol
LogP3.30
Rot. Bonds4

About 2-methoxy-N-[5-(oxan-4-yl)-1,3-thiazol-2-yl]benzamide

2-methoxy-N-[5-(oxan-4-yl)-1,3-thiazol-2-yl]benzamide (PubChem CID 167932235) has the molecular formula C16H18N2O3S and a molecular weight of 318.40 g/mol. Its IUPAC name is 2-methoxy-N-[5-(oxan-4-yl)-1,3-thiazol-2-yl]benzamide.

Molecular Properties

Compound Name2-methoxy-N-[5-(oxan-4-yl)-1,3-thiazol-2-yl]benzamide
PubChem CID167932235
Molecular FormulaC16H18N2O3S
Molecular Weight318.40 g/mol
Exact Mass318.10
IUPAC Name2-methoxy-N-[5-(oxan-4-yl)-1,3-thiazol-2-yl]benzamide
SMILESCOc1ccccc1C(=O)Nc1ncc(C2CCOCC2)s1
InChIInChI=1S/C16H18N2O3S/c1-20-13-5-3-2-4-12(13)15(19)18-16-17-10-14(22-16)11-6-8-21-9-7-11/h2-5,10-11H,6-9H2,1H3,(H,17,18,19)
InChIKeyVWZJVOBIILGABN-UHFFFAOYSA-N
XLogP3.30
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.40
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(5-cyclopropyl-1,3-thiazol-2-yl)-2-methoxybenzamide
CID 155951835
2-methoxy-N-(5-methyl-1,3-thiazol-2-yl)benzamide
CID 803477
N-[5-(2-hydroxyethyl)-1,3-thiazol-2-yl]-2-methoxybenzamide
CID 167969899
N-(4-cyclopropyl-1,3-thiazol-2-yl)-2-methoxybenzamide
CID 32864791
1-[(1S)-2,2-dimethylcyclopropyl]-3-[5-(oxan-4-yl)-1,3-thiazol-2-yl]urea
CID 128789968
1-(3-bicyclo[3.1.0]hexanyl)-3-[5-(oxan-4-yl)-1,3-thiazol-2-yl]urea
CID 128912506
2-(cyclopropylmethoxy)-N-(5-methyl-1,3-thiazol-2-yl)benzamide
CID 155944356
2-methoxy-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)benzamide
CID 5107128
2-methoxy-N-(5-methyl-1,3-thiazol-2-yl)-5-[[(3S)-oxolan-3-yl]sulfamoyl]benzamide
CID 146255998
methyl 2-[[2-[(3S)-oxolan-3-yl]oxypyridine-3-carbonyl]amino]-1,3-thiazole-5-carboxylate
CID 124875567
[2-[(5-nitro-1,3-thiazol-2-yl)carbamoyl]phenyl] morpholine-4-carboxylate
CID 87056849
2-methoxy-N-[5-(oxolan-2-ylmethylamino)-2-pyridinyl]benzamide
CID 113025379

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[5-(oxan-4-yl)-1,3-thiazol-2-yl]benzamide?
The IUPAC name of 2-methoxy-N-[5-(oxan-4-yl)-1,3-thiazol-2-yl]benzamide (CID 167932235) is 2-methoxy-N-[5-(oxan-4-yl)-1,3-thiazol-2-yl]benzamide.
What is the SMILES notation for 2-methoxy-N-[5-(oxan-4-yl)-1,3-thiazol-2-yl]benzamide?
The canonical SMILES for 2-methoxy-N-[5-(oxan-4-yl)-1,3-thiazol-2-yl]benzamide is COc1ccccc1C(=O)Nc1ncc(C2CCOCC2)s1.
What is the InChIKey of 2-methoxy-N-[5-(oxan-4-yl)-1,3-thiazol-2-yl]benzamide?
The InChIKey is VWZJVOBIILGABN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O3S/c1-20-13-5-3-2-4-12(13)15(19)18-16-17-10-14(22-16)11-6-8-21-9-7-11/h2-5,10-11H,6-9H2,1H3,(H,17,18,19).
What are the key properties of 2-methoxy-N-[5-(oxan-4-yl)-1,3-thiazol-2-yl]benzamide?
2-methoxy-N-[5-(oxan-4-yl)-1,3-thiazol-2-yl]benzamide has a molecular weight of 318.40 g/mol, XLogP of 3.30, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-[5-(oxan-4-yl)-1,3-thiazol-2-yl]benzamide is sourced from PubChem (CID 167932235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).