2-(difluoromethoxy)-N-(4,5-dimethyl-1,3-thiazol-2-yl)-3-methoxybenzamide

C14H14F2N2O3S — CID 51151057

IUPAC2-(difluoromethoxy)-N-(4,5-dimethyl-1,3-thiazol-2-yl)-3-methoxybenzamide
SMILESCOc1cccc(C(=O)Nc2nc(C)c(C)s2)c1OC(F)F
InChIInChI=1S/C14H14F2N2O3S/c1-7-8(2)22-14(17-7)18-12(19)9-5-4-6-10(20-3)11(9)21-13(15)16/h4-6,13H,1-3H3,(H,17,18,19)
InChIKeyWALSCKIOVDONND-UHFFFAOYSA-N
MW328.34 g/mol
LogP3.62
Rot. Bonds5

About 2-(difluoromethoxy)-N-(4,5-dimethyl-1,3-thiazol-2-yl)-3-methoxybenzamide

2-(difluoromethoxy)-N-(4,5-dimethyl-1,3-thiazol-2-yl)-3-methoxybenzamide (PubChem CID 51151057) has the molecular formula C14H14F2N2O3S and a molecular weight of 328.34 g/mol. Its IUPAC name is 2-(difluoromethoxy)-N-(4,5-dimethyl-1,3-thiazol-2-yl)-3-methoxybenzamide.

Molecular Properties

Compound Name2-(difluoromethoxy)-N-(4,5-dimethyl-1,3-thiazol-2-yl)-3-methoxybenzamide
PubChem CID51151057
Molecular FormulaC14H14F2N2O3S
Molecular Weight328.34 g/mol
Exact Mass328.07
IUPAC Name2-(difluoromethoxy)-N-(4,5-dimethyl-1,3-thiazol-2-yl)-3-methoxybenzamide
SMILESCOc1cccc(C(=O)Nc2nc(C)c(C)s2)c1OC(F)F
InChIInChI=1S/C14H14F2N2O3S/c1-7-8(2)22-14(17-7)18-12(19)9-5-4-6-10(20-3)11(9)21-13(15)16/h4-6,13H,1-3H3,(H,17,18,19)
InChIKeyWALSCKIOVDONND-UHFFFAOYSA-N
XLogP3.62
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.34
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(difluoromethoxy)-3-methoxy-N-(4-methyl-1,3-thiazol-2-yl)benzamide
CID 51158639
(E)-3-[2-(difluoromethoxy)-3-methoxyphenyl]-N-(4,5-dimethyl-1,3-thiazol-2-yl)prop-2-enamide
CID 18198247
2-(difluoromethoxy)-3-methoxy-N-(6-methoxy-1,3-benzothiazol-2-yl)benzamide
CID 112759261
N-[6-(difluoromethoxy)-1,3-benzothiazol-2-yl]-2,3-dimethoxybenzamide
CID 4776340
N-(4,5-dimethyl-1,3-thiazol-2-yl)-2,4-dimethoxy-3-methylbenzamide
CID 110763421
2-(difluoromethoxy)-3-methoxy-N-naphthalen-1-ylbenzamide
CID 112762767
N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-2-(difluoromethoxy)-3-methoxybenzamide
CID 55341280
2-(difluoromethoxy)-N-(5-ethyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-3-methoxybenzamide
CID 78772886
2-amino-N-(4,5-dimethyl-1,3-thiazol-2-yl)-6-methoxybenzamide
CID 81421138
2-(difluoromethoxy)-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-3-methoxybenzamide
CID 86822451
2-(difluoromethoxy)-3-methoxy-N-[(6-methyl-2-pyridinyl)methyl]benzamide
CID 86820780
2-(difluoromethoxy)-3-methoxy-N-quinolin-3-ylbenzamide
CID 51337639

Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethoxy)-N-(4,5-dimethyl-1,3-thiazol-2-yl)-3-methoxybenzamide?
The IUPAC name of 2-(difluoromethoxy)-N-(4,5-dimethyl-1,3-thiazol-2-yl)-3-methoxybenzamide (CID 51151057) is 2-(difluoromethoxy)-N-(4,5-dimethyl-1,3-thiazol-2-yl)-3-methoxybenzamide.
What is the SMILES notation for 2-(difluoromethoxy)-N-(4,5-dimethyl-1,3-thiazol-2-yl)-3-methoxybenzamide?
The canonical SMILES for 2-(difluoromethoxy)-N-(4,5-dimethyl-1,3-thiazol-2-yl)-3-methoxybenzamide is COc1cccc(C(=O)Nc2nc(C)c(C)s2)c1OC(F)F.
What is the InChIKey of 2-(difluoromethoxy)-N-(4,5-dimethyl-1,3-thiazol-2-yl)-3-methoxybenzamide?
The InChIKey is WALSCKIOVDONND-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14F2N2O3S/c1-7-8(2)22-14(17-7)18-12(19)9-5-4-6-10(20-3)11(9)21-13(15)16/h4-6,13H,1-3H3,(H,17,18,19).
What are the key properties of 2-(difluoromethoxy)-N-(4,5-dimethyl-1,3-thiazol-2-yl)-3-methoxybenzamide?
2-(difluoromethoxy)-N-(4,5-dimethyl-1,3-thiazol-2-yl)-3-methoxybenzamide has a molecular weight of 328.34 g/mol, XLogP of 3.62, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethoxy)-N-(4,5-dimethyl-1,3-thiazol-2-yl)-3-methoxybenzamide is sourced from PubChem (CID 51151057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).