5-chloro-N-[4-(3-fluoro-4-methoxyphenyl)-1,3-thiazol-2-yl]-2-methoxybenzamide

C18H14ClFN2O3S — CID 8511701

IUPAC5-chloro-N-[4-(3-fluoro-4-methoxyphenyl)-1,3-thiazol-2-yl]-2-methoxybenzamide
SMILESCOc1ccc(-c2csc(NC(=O)c3cc(Cl)ccc3OC)n2)cc1F
InChIInChI=1S/C18H14ClFN2O3S/c1-24-15-6-4-11(19)8-12(15)17(23)22-18-21-14(9-26-18)10-3-5-16(25-2)13(20)7-10/h3-9H,1-2H3,(H,21,22,23)
InChIKeyHABGBONAKBHBAP-UHFFFAOYSA-N
MW392.84 g/mol
LogP4.87
Rot. Bonds5

About 5-chloro-N-[4-(3-fluoro-4-methoxyphenyl)-1,3-thiazol-2-yl]-2-methoxybenzamide

5-chloro-N-[4-(3-fluoro-4-methoxyphenyl)-1,3-thiazol-2-yl]-2-methoxybenzamide (PubChem CID 8511701) has the molecular formula C18H14ClFN2O3S and a molecular weight of 392.84 g/mol. Its IUPAC name is 5-chloro-N-[4-(3-fluoro-4-methoxyphenyl)-1,3-thiazol-2-yl]-2-methoxybenzamide.

Molecular Properties

Compound Name5-chloro-N-[4-(3-fluoro-4-methoxyphenyl)-1,3-thiazol-2-yl]-2-methoxybenzamide
PubChem CID8511701
Molecular FormulaC18H14ClFN2O3S
Molecular Weight392.84 g/mol
Exact Mass392.04
IUPAC Name5-chloro-N-[4-(3-fluoro-4-methoxyphenyl)-1,3-thiazol-2-yl]-2-methoxybenzamide
SMILESCOc1ccc(-c2csc(NC(=O)c3cc(Cl)ccc3OC)n2)cc1F
InChIInChI=1S/C18H14ClFN2O3S/c1-24-15-6-4-11(19)8-12(15)17(23)22-18-21-14(9-26-18)10-3-5-16(25-2)13(20)7-10/h3-9H,1-2H3,(H,21,22,23)
InChIKeyHABGBONAKBHBAP-UHFFFAOYSA-N
XLogP4.87
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.84
LogP ≤ 54.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[4-(3-fluoro-4-methoxyphenyl)-1,3-thiazol-2-yl]-2-methoxybenzamide?
The IUPAC name of 5-chloro-N-[4-(3-fluoro-4-methoxyphenyl)-1,3-thiazol-2-yl]-2-methoxybenzamide (CID 8511701) is 5-chloro-N-[4-(3-fluoro-4-methoxyphenyl)-1,3-thiazol-2-yl]-2-methoxybenzamide.
What is the SMILES notation for 5-chloro-N-[4-(3-fluoro-4-methoxyphenyl)-1,3-thiazol-2-yl]-2-methoxybenzamide?
The canonical SMILES for 5-chloro-N-[4-(3-fluoro-4-methoxyphenyl)-1,3-thiazol-2-yl]-2-methoxybenzamide is COc1ccc(-c2csc(NC(=O)c3cc(Cl)ccc3OC)n2)cc1F.
What is the InChIKey of 5-chloro-N-[4-(3-fluoro-4-methoxyphenyl)-1,3-thiazol-2-yl]-2-methoxybenzamide?
The InChIKey is HABGBONAKBHBAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14ClFN2O3S/c1-24-15-6-4-11(19)8-12(15)17(23)22-18-21-14(9-26-18)10-3-5-16(25-2)13(20)7-10/h3-9H,1-2H3,(H,21,22,23).
What are the key properties of 5-chloro-N-[4-(3-fluoro-4-methoxyphenyl)-1,3-thiazol-2-yl]-2-methoxybenzamide?
5-chloro-N-[4-(3-fluoro-4-methoxyphenyl)-1,3-thiazol-2-yl]-2-methoxybenzamide has a molecular weight of 392.84 g/mol, XLogP of 4.87, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[4-(3-fluoro-4-methoxyphenyl)-1,3-thiazol-2-yl]-2-methoxybenzamide is sourced from PubChem (CID 8511701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).