4-(3,3-dimethylbutanoylamino)-3-fluoro-2-methoxy-N-(1,3-thiazol-2-yl)benzamide

C17H20FN3O3S — CID 51050227

IUPAC4-(3,3-dimethylbutanoylamino)-3-fluoro-2-methoxy-N-(1,3-thiazol-2-yl)benzamide
SMILESCOc1c(C(=O)Nc2nccs2)ccc(NC(=O)CC(C)(C)C)c1F
InChIInChI=1S/C17H20FN3O3S/c1-17(2,3)9-12(22)20-11-6-5-10(14(24-4)13(11)18)15(23)21-16-19-7-8-25-16/h5-8H,9H2,1-4H3,(H,20,22)(H,19,21,23)
InChIKeyLNUKUKIGALSKPN-UHFFFAOYSA-N
MW365.43 g/mol
LogP3.92
Rot. Bonds5

About 4-(3,3-dimethylbutanoylamino)-3-fluoro-2-methoxy-N-(1,3-thiazol-2-yl)benzamide

4-(3,3-dimethylbutanoylamino)-3-fluoro-2-methoxy-N-(1,3-thiazol-2-yl)benzamide (PubChem CID 51050227) has the molecular formula C17H20FN3O3S and a molecular weight of 365.43 g/mol. Its IUPAC name is 4-(3,3-dimethylbutanoylamino)-3-fluoro-2-methoxy-N-(1,3-thiazol-2-yl)benzamide.

Molecular Properties

Compound Name4-(3,3-dimethylbutanoylamino)-3-fluoro-2-methoxy-N-(1,3-thiazol-2-yl)benzamide
PubChem CID51050227
Molecular FormulaC17H20FN3O3S
Molecular Weight365.43 g/mol
Exact Mass365.12
IUPAC Name4-(3,3-dimethylbutanoylamino)-3-fluoro-2-methoxy-N-(1,3-thiazol-2-yl)benzamide
SMILESCOc1c(C(=O)Nc2nccs2)ccc(NC(=O)CC(C)(C)C)c1F
InChIInChI=1S/C17H20FN3O3S/c1-17(2,3)9-12(22)20-11-6-5-10(14(24-4)13(11)18)15(23)21-16-19-7-8-25-16/h5-8H,9H2,1-4H3,(H,20,22)(H,19,21,23)
InChIKeyLNUKUKIGALSKPN-UHFFFAOYSA-N
XLogP3.92
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.43
LogP ≤ 53.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-(3,3-dimethylbutanoylamino)-3-fluoro-2-methoxy-N-(1,3-thiazol-2-yl)benzamide 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

4-acetamido-5-chloro-2-methoxy-N-(1,3-thiazol-2-yl)benzamide
CID 2991114
4-(3,3-dimethylbutyrylamino)-2-methoxy-N-thiazol-2-ylbenzamide
CID 11473488
4-(3,3-Dimethyl-butyrylamino)-3-methoxy-N-thiazol-2-yl-benzamide
CID 16122819
3-[[2-(2-methoxyphenyl)acetyl]amino]-N-(1,3-thiazol-2-yl)benzamide
CID 1967581
2-methoxy-N-(1,3-thiazol-2-yl)benzamide
CID 2787065
Benzamide, 5-amino-2-(octyloxy)-N-(2-thiazolyl)-
CID 203061
2-(3-Methylbut-2-enoxy)-4-(thiazol-2-ylamino)benzoic acid
CID 15956097
3-(4-Methoxybenzamido)-N-(1,3-thiazol-2-yl)benzamide
CID 2248518
3-methoxy-N-[4-(1,3-thiazol-2-ylcarbamoyl)phenyl]benzamide
CID 1369403
4-{[(2-methoxyphenyl)acetyl]amino}-N-(1,3-thiazol-2-yl)benzamide
CID 1339770
3-{[(4-methoxyphenyl)acetyl]amino}-N-(1,3-thiazol-2-yl)benzamide
CID 1340553
2-(difluoromethoxy)-N-(1,3-thiazol-2-yl)benzamide
CID 732515

Frequently Asked Questions

What is the IUPAC name of 4-(3,3-dimethylbutanoylamino)-3-fluoro-2-methoxy-N-(1,3-thiazol-2-yl)benzamide?
The IUPAC name of 4-(3,3-dimethylbutanoylamino)-3-fluoro-2-methoxy-N-(1,3-thiazol-2-yl)benzamide (CID 51050227) is 4-(3,3-dimethylbutanoylamino)-3-fluoro-2-methoxy-N-(1,3-thiazol-2-yl)benzamide.
What is the SMILES notation for 4-(3,3-dimethylbutanoylamino)-3-fluoro-2-methoxy-N-(1,3-thiazol-2-yl)benzamide?
The canonical SMILES for 4-(3,3-dimethylbutanoylamino)-3-fluoro-2-methoxy-N-(1,3-thiazol-2-yl)benzamide is COc1c(C(=O)Nc2nccs2)ccc(NC(=O)CC(C)(C)C)c1F.
What is the InChIKey of 4-(3,3-dimethylbutanoylamino)-3-fluoro-2-methoxy-N-(1,3-thiazol-2-yl)benzamide?
The InChIKey is LNUKUKIGALSKPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FN3O3S/c1-17(2,3)9-12(22)20-11-6-5-10(14(24-4)13(11)18)15(23)21-16-19-7-8-25-16/h5-8H,9H2,1-4H3,(H,20,22)(H,19,21,23).
What are the key properties of 4-(3,3-dimethylbutanoylamino)-3-fluoro-2-methoxy-N-(1,3-thiazol-2-yl)benzamide?
4-(3,3-dimethylbutanoylamino)-3-fluoro-2-methoxy-N-(1,3-thiazol-2-yl)benzamide has a molecular weight of 365.43 g/mol, XLogP of 3.92, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,3-dimethylbutanoylamino)-3-fluoro-2-methoxy-N-(1,3-thiazol-2-yl)benzamide is sourced from PubChem (CID 51050227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).