3-(difluoromethoxy)-N-(4,5-dihydro-1,3-thiazol-2-yl)benzamide

C11H10F2N2O2S — CID 2676787

IUPAC3-(difluoromethoxy)-N-(4,5-dihydro-1,3-thiazol-2-yl)benzamide
SMILESO=C(NC1=NCCS1)c1cccc(OC(F)F)c1
InChIInChI=1S/C11H10F2N2O2S/c12-10(13)17-8-3-1-2-7(6-8)9(16)15-11-14-4-5-18-11/h1-3,6,10H,4-5H2,(H,14,15,16)
InChIKeySXIIWLMZXIGPJU-UHFFFAOYSA-N
MW272.28 g/mol
LogP2.12
Rot. Bonds3

About 3-(difluoromethoxy)-N-(4,5-dihydro-1,3-thiazol-2-yl)benzamide

3-(difluoromethoxy)-N-(4,5-dihydro-1,3-thiazol-2-yl)benzamide (PubChem CID 2676787) has the molecular formula C11H10F2N2O2S and a molecular weight of 272.28 g/mol. Its IUPAC name is 3-(difluoromethoxy)-N-(4,5-dihydro-1,3-thiazol-2-yl)benzamide.

Molecular Properties

Compound Name3-(difluoromethoxy)-N-(4,5-dihydro-1,3-thiazol-2-yl)benzamide
PubChem CID2676787
Molecular FormulaC11H10F2N2O2S
Molecular Weight272.28 g/mol
Exact Mass272.04
IUPAC Name3-(difluoromethoxy)-N-(4,5-dihydro-1,3-thiazol-2-yl)benzamide
SMILESO=C(NC1=NCCS1)c1cccc(OC(F)F)c1
InChIInChI=1S/C11H10F2N2O2S/c12-10(13)17-8-3-1-2-7(6-8)9(16)15-11-14-4-5-18-11/h1-3,6,10H,4-5H2,(H,14,15,16)
InChIKeySXIIWLMZXIGPJU-UHFFFAOYSA-N
XLogP2.12
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.28
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3-Methoxyphenyl)-(2-methylsulfanyl-4,5-dihydroimidazol-1-yl)methanone
CID 3413160
N-(4,5-dihydro-1,3-thiazol-2-yl)-4-methoxybenzamide
CID 821601
N-(4,5-Dihydro-2-thiazolyl)-4-(1-methylethoxy)benzamide
CID 802126
Stk520326
CID 924650
N-(4,5-dihydro-1,3-thiazol-2-yl)-3-(propan-2-yloxy)benzamide
CID 955794
3-(difluoromethoxy)-N-(3-methyl-1,3-thiazol-2-ylidene)benzamide
CID 4858821
Benzamide, 3-methoxy-N-(5-oxo-6-trifluoromethyl-2,3,5,6-tetrahydroimidazo[2,1-b]thiazol-6-yl)-
CID 663737
N-(4,5-dihydro-1,3-thiazol-2-yl)-3-methoxybenzamide
CID 669435
N-(4,5-dihydro-1,3-thiazol-2-yl)-2,3-dimethoxybenzamide
CID 1246268
N-(4,5-dihydro-1,3-thiazol-2-yl)-3,5-dimethoxybenzamide
CID 2460037
N-(5-tert-butyl-3-(cyclopropylmethyl)-4-methylthiazol-2(3H)-ylidene)-3-(trifluoromethoxy)benzamide
CID 44443143
N-(4,5-dihydro-1,3-thiazol-2-yl)-2-[(4-fluorophenyl)methoxy]benzamide
CID 2115754

Frequently Asked Questions

What is the IUPAC name of 3-(difluoromethoxy)-N-(4,5-dihydro-1,3-thiazol-2-yl)benzamide?
The IUPAC name of 3-(difluoromethoxy)-N-(4,5-dihydro-1,3-thiazol-2-yl)benzamide (CID 2676787) is 3-(difluoromethoxy)-N-(4,5-dihydro-1,3-thiazol-2-yl)benzamide.
What is the SMILES notation for 3-(difluoromethoxy)-N-(4,5-dihydro-1,3-thiazol-2-yl)benzamide?
The canonical SMILES for 3-(difluoromethoxy)-N-(4,5-dihydro-1,3-thiazol-2-yl)benzamide is O=C(NC1=NCCS1)c1cccc(OC(F)F)c1.
What is the InChIKey of 3-(difluoromethoxy)-N-(4,5-dihydro-1,3-thiazol-2-yl)benzamide?
The InChIKey is SXIIWLMZXIGPJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F2N2O2S/c12-10(13)17-8-3-1-2-7(6-8)9(16)15-11-14-4-5-18-11/h1-3,6,10H,4-5H2,(H,14,15,16).
What are the key properties of 3-(difluoromethoxy)-N-(4,5-dihydro-1,3-thiazol-2-yl)benzamide?
3-(difluoromethoxy)-N-(4,5-dihydro-1,3-thiazol-2-yl)benzamide has a molecular weight of 272.28 g/mol, XLogP of 2.12, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(difluoromethoxy)-N-(4,5-dihydro-1,3-thiazol-2-yl)benzamide is sourced from PubChem (CID 2676787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).