2-[4-fluoro-2-(1,3-thiazol-2-ylcarbamoylamino)phenoxy]-N-methylbenzamide

C18H15FN4O3S — CID 59732796

IUPAC2-[4-fluoro-2-(1,3-thiazol-2-ylcarbamoylamino)phenoxy]-N-methylbenzamide
SMILESCNC(=O)c1ccccc1Oc1ccc(F)cc1NC(=O)Nc1nccs1
InChIInChI=1S/C18H15FN4O3S/c1-20-16(24)12-4-2-3-5-14(12)26-15-7-6-11(19)10-13(15)22-17(25)23-18-21-8-9-27-18/h2-10H,1H3,(H,20,24)(H2,21,22,23,25)
InChIKeyMTWXABRWJNZJNO-UHFFFAOYSA-N
MW386.41 g/mol
LogP4.08
Rot. Bonds5

About 2-[4-fluoro-2-(1,3-thiazol-2-ylcarbamoylamino)phenoxy]-N-methylbenzamide

2-[4-fluoro-2-(1,3-thiazol-2-ylcarbamoylamino)phenoxy]-N-methylbenzamide (PubChem CID 59732796) has the molecular formula C18H15FN4O3S and a molecular weight of 386.41 g/mol. Its IUPAC name is 2-[4-fluoro-2-(1,3-thiazol-2-ylcarbamoylamino)phenoxy]-N-methylbenzamide.

Molecular Properties

Compound Name2-[4-fluoro-2-(1,3-thiazol-2-ylcarbamoylamino)phenoxy]-N-methylbenzamide
PubChem CID59732796
Molecular FormulaC18H15FN4O3S
Molecular Weight386.41 g/mol
Exact Mass386.08
IUPAC Name2-[4-fluoro-2-(1,3-thiazol-2-ylcarbamoylamino)phenoxy]-N-methylbenzamide
SMILESCNC(=O)c1ccccc1Oc1ccc(F)cc1NC(=O)Nc1nccs1
InChIInChI=1S/C18H15FN4O3S/c1-20-16(24)12-4-2-3-5-14(12)26-15-7-6-11(19)10-13(15)22-17(25)23-18-21-8-9-27-18/h2-10H,1H3,(H,20,24)(H2,21,22,23,25)
InChIKeyMTWXABRWJNZJNO-UHFFFAOYSA-N
XLogP4.08
TPSA92.35 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.41
LogP ≤ 54.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

1-[2-(2,3-dimethoxyphenoxy)-5-methoxyphenyl]-3-(1,3-thiazol-2-yl)urea
CID 59732942
1-[5-fluoro-2-(thiophene-2-carbonyl)phenyl]-3-(1,3-thiazol-2-yl)urea
CID 59733091
1-[2-(2,4-difluorophenyl)sulfanylphenyl]-3-(1,3-thiazol-2-yl)urea
CID 59732885
1-[2-(4-cyanophenoxy)phenyl]-3-(1,3-thiazol-2-yl)urea
CID 59732941
2-[(2-methoxybenzoyl)amino]-N-(1,3-thiazol-2-yl)benzamide
CID 17361063
1-[2-(2-fluoro-6-methoxyphenoxy)-5-(methanesulfonamido)phenyl]-3-(1,3-thiazol-2-yl)urea
CID 59733019
2-[(2-methylpropan-2-yl)oxy]-N-(1,3-thiazol-2-yl)benzamide
CID 110464702
1-[2-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]-3-(1,3-thiazol-2-yl)urea
CID 21092461
2-methoxy-N-[(2R)-3-methyl-1-oxo-1-(1,3-thiazol-2-ylamino)butan-2-yl]benzamide
CID 41259077
1-[2-[(3,4-dimethoxyphenyl)methoxy]phenyl]-3-(1,3-thiazol-2-yl)urea
CID 59725734
1-[2-(2,3-dimethoxyphenoxy)-4-methylphenyl]-3-(1,3-thiazol-2-yl)urea
CID 59733062
1-(2,6-dimethoxyphenyl)-3-(1,3-thiazol-2-yl)urea
CID 108867903

Frequently Asked Questions

What is the IUPAC name of 2-[4-fluoro-2-(1,3-thiazol-2-ylcarbamoylamino)phenoxy]-N-methylbenzamide?
The IUPAC name of 2-[4-fluoro-2-(1,3-thiazol-2-ylcarbamoylamino)phenoxy]-N-methylbenzamide (CID 59732796) is 2-[4-fluoro-2-(1,3-thiazol-2-ylcarbamoylamino)phenoxy]-N-methylbenzamide.
What is the SMILES notation for 2-[4-fluoro-2-(1,3-thiazol-2-ylcarbamoylamino)phenoxy]-N-methylbenzamide?
The canonical SMILES for 2-[4-fluoro-2-(1,3-thiazol-2-ylcarbamoylamino)phenoxy]-N-methylbenzamide is CNC(=O)c1ccccc1Oc1ccc(F)cc1NC(=O)Nc1nccs1.
What is the InChIKey of 2-[4-fluoro-2-(1,3-thiazol-2-ylcarbamoylamino)phenoxy]-N-methylbenzamide?
The InChIKey is MTWXABRWJNZJNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15FN4O3S/c1-20-16(24)12-4-2-3-5-14(12)26-15-7-6-11(19)10-13(15)22-17(25)23-18-21-8-9-27-18/h2-10H,1H3,(H,20,24)(H2,21,22,23,25).
What are the key properties of 2-[4-fluoro-2-(1,3-thiazol-2-ylcarbamoylamino)phenoxy]-N-methylbenzamide?
2-[4-fluoro-2-(1,3-thiazol-2-ylcarbamoylamino)phenoxy]-N-methylbenzamide has a molecular weight of 386.41 g/mol, XLogP of 4.08, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-fluoro-2-(1,3-thiazol-2-ylcarbamoylamino)phenoxy]-N-methylbenzamide is sourced from PubChem (CID 59732796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).