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

C18H15ClFN3O2S — CID 30859988

IUPACN-(5-chloro-2-methoxyphenyl)-2-[2-(4-fluoroanilino)-1,3-thiazol-4-yl]acetamide
SMILESCOc1ccc(Cl)cc1NC(=O)Cc1csc(Nc2ccc(F)cc2)n1
InChIInChI=1S/C18H15ClFN3O2S/c1-25-16-7-2-11(19)8-15(16)23-17(24)9-14-10-26-18(22-14)21-13-5-3-12(20)4-6-13/h2-8,10H,9H2,1H3,(H,21,22)(H,23,24)
InChIKeyNAKWBNNFNBXDSO-UHFFFAOYSA-N
MW391.86 g/mol
LogP4.87
Rot. Bonds6

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

N-(5-chloro-2-methoxyphenyl)-2-[2-(4-fluoroanilino)-1,3-thiazol-4-yl]acetamide (PubChem CID 30859988) has the molecular formula C18H15ClFN3O2S and a molecular weight of 391.86 g/mol. Its IUPAC name is N-(5-chloro-2-methoxyphenyl)-2-[2-(4-fluoroanilino)-1,3-thiazol-4-yl]acetamide.

Molecular Properties

Compound NameN-(5-chloro-2-methoxyphenyl)-2-[2-(4-fluoroanilino)-1,3-thiazol-4-yl]acetamide
PubChem CID30859988
Molecular FormulaC18H15ClFN3O2S
Molecular Weight391.86 g/mol
Exact Mass391.06
IUPAC NameN-(5-chloro-2-methoxyphenyl)-2-[2-(4-fluoroanilino)-1,3-thiazol-4-yl]acetamide
SMILESCOc1ccc(Cl)cc1NC(=O)Cc1csc(Nc2ccc(F)cc2)n1
InChIInChI=1S/C18H15ClFN3O2S/c1-25-16-7-2-11(19)8-15(16)23-17(24)9-14-10-26-18(22-14)21-13-5-3-12(20)4-6-13/h2-8,10H,9H2,1H3,(H,21,22)(H,23,24)
InChIKeyNAKWBNNFNBXDSO-UHFFFAOYSA-N
XLogP4.87
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.86
LogP ≤ 54.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-methoxyphenyl)-2-[2-(4-fluoroanilino)-1,3-thiazol-4-yl]acetamide?
The IUPAC name of N-(5-chloro-2-methoxyphenyl)-2-[2-(4-fluoroanilino)-1,3-thiazol-4-yl]acetamide (CID 30859988) is N-(5-chloro-2-methoxyphenyl)-2-[2-(4-fluoroanilino)-1,3-thiazol-4-yl]acetamide.
What is the SMILES notation for N-(5-chloro-2-methoxyphenyl)-2-[2-(4-fluoroanilino)-1,3-thiazol-4-yl]acetamide?
The canonical SMILES for N-(5-chloro-2-methoxyphenyl)-2-[2-(4-fluoroanilino)-1,3-thiazol-4-yl]acetamide is COc1ccc(Cl)cc1NC(=O)Cc1csc(Nc2ccc(F)cc2)n1.
What is the InChIKey of N-(5-chloro-2-methoxyphenyl)-2-[2-(4-fluoroanilino)-1,3-thiazol-4-yl]acetamide?
The InChIKey is NAKWBNNFNBXDSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15ClFN3O2S/c1-25-16-7-2-11(19)8-15(16)23-17(24)9-14-10-26-18(22-14)21-13-5-3-12(20)4-6-13/h2-8,10H,9H2,1H3,(H,21,22)(H,23,24).
What are the key properties of N-(5-chloro-2-methoxyphenyl)-2-[2-(4-fluoroanilino)-1,3-thiazol-4-yl]acetamide?
N-(5-chloro-2-methoxyphenyl)-2-[2-(4-fluoroanilino)-1,3-thiazol-4-yl]acetamide has a molecular weight of 391.86 g/mol, XLogP of 4.87, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-methoxyphenyl)-2-[2-(4-fluoroanilino)-1,3-thiazol-4-yl]acetamide is sourced from PubChem (CID 30859988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).