N-[4-(2,4-difluorophenyl)-1,3-thiazol-2-yl]-4-methoxybenzamide

C17H12F2N2O2S — CID 3498985

IUPACN-[4-(2,4-difluorophenyl)-1,3-thiazol-2-yl]-4-methoxybenzamide
SMILESCOc1ccc(C(=O)Nc2nc(-c3ccc(F)cc3F)cs2)cc1
InChIInChI=1S/C17H12F2N2O2S/c1-23-12-5-2-10(3-6-12)16(22)21-17-20-15(9-24-17)13-7-4-11(18)8-14(13)19/h2-9H,1H3,(H,20,21,22)
InChIKeyDHOMCTIZDXCPNK-UHFFFAOYSA-N
MW346.36 g/mol
LogP4.35
Rot. Bonds4

About N-[4-(2,4-difluorophenyl)-1,3-thiazol-2-yl]-4-methoxybenzamide

N-[4-(2,4-difluorophenyl)-1,3-thiazol-2-yl]-4-methoxybenzamide (PubChem CID 3498985) has the molecular formula C17H12F2N2O2S and a molecular weight of 346.36 g/mol. Its IUPAC name is N-[4-(2,4-difluorophenyl)-1,3-thiazol-2-yl]-4-methoxybenzamide.

Molecular Properties

Compound NameN-[4-(2,4-difluorophenyl)-1,3-thiazol-2-yl]-4-methoxybenzamide
PubChem CID3498985
Molecular FormulaC17H12F2N2O2S
Molecular Weight346.36 g/mol
Exact Mass346.06
IUPAC NameN-[4-(2,4-difluorophenyl)-1,3-thiazol-2-yl]-4-methoxybenzamide
SMILESCOc1ccc(C(=O)Nc2nc(-c3ccc(F)cc3F)cs2)cc1
InChIInChI=1S/C17H12F2N2O2S/c1-23-12-5-2-10(3-6-12)16(22)21-17-20-15(9-24-17)13-7-4-11(18)8-14(13)19/h2-9H,1H3,(H,20,21,22)
InChIKeyDHOMCTIZDXCPNK-UHFFFAOYSA-N
XLogP4.35
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.36
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[4-(2,4-difluorophenyl)-1,3-thiazol-2-yl]-4-methoxybenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-N,4-N-bis[4-(2,4-difluorophenyl)-1,3-thiazol-2-yl]benzene-1,4-dicarboxamide
CID 4116905
N-[4-(2,4-difluorophenyl)-1,3-thiazol-2-yl]-4-fluorobenzamide
CID 3524198
(E)-N-[4-(2,4-difluorophenyl)-1,3-thiazol-2-yl]-3-(4-methoxyphenyl)prop-2-enamide
CID 1011282
N-[4-(2,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-4-(trifluoromethyl)benzamide
CID 30245473
3-bromo-N-[4-(2,4-difluorophenyl)-1,3-thiazol-2-yl]benzamide
CID 1011238
N-[4-(2,4-difluorophenyl)-1,3-thiazol-2-yl]-1,3-benzodioxole-5-carboxamide
CID 1222040
4-bromo-N-[4-(2,5-difluorophenyl)-1,3-thiazol-2-yl]-3,5-dimethoxybenzamide
CID 26704499
3,4-difluoro-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]benzamide
CID 30435747
methyl 4-[[4-(2-fluorophenyl)-1,3-thiazol-2-yl]carbamoyl]benzoate
CID 60551769
1-[4-(2,4-difluorophenyl)-1,3-thiazol-2-yl]-3-propan-2-ylurea
CID 156560492
N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-4-ethylbenzamide
CID 3255300
4-tert-butyl-N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]benzamide
CID 3561344

Frequently Asked Questions

What is the IUPAC name of N-[4-(2,4-difluorophenyl)-1,3-thiazol-2-yl]-4-methoxybenzamide?
The IUPAC name of N-[4-(2,4-difluorophenyl)-1,3-thiazol-2-yl]-4-methoxybenzamide (CID 3498985) is N-[4-(2,4-difluorophenyl)-1,3-thiazol-2-yl]-4-methoxybenzamide.
What is the SMILES notation for N-[4-(2,4-difluorophenyl)-1,3-thiazol-2-yl]-4-methoxybenzamide?
The canonical SMILES for N-[4-(2,4-difluorophenyl)-1,3-thiazol-2-yl]-4-methoxybenzamide is COc1ccc(C(=O)Nc2nc(-c3ccc(F)cc3F)cs2)cc1.
What is the InChIKey of N-[4-(2,4-difluorophenyl)-1,3-thiazol-2-yl]-4-methoxybenzamide?
The InChIKey is DHOMCTIZDXCPNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12F2N2O2S/c1-23-12-5-2-10(3-6-12)16(22)21-17-20-15(9-24-17)13-7-4-11(18)8-14(13)19/h2-9H,1H3,(H,20,21,22).
What are the key properties of N-[4-(2,4-difluorophenyl)-1,3-thiazol-2-yl]-4-methoxybenzamide?
N-[4-(2,4-difluorophenyl)-1,3-thiazol-2-yl]-4-methoxybenzamide has a molecular weight of 346.36 g/mol, XLogP of 4.35, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2,4-difluorophenyl)-1,3-thiazol-2-yl]-4-methoxybenzamide is sourced from PubChem (CID 3498985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).