5-[1-(2-acetamido-1,3-thiazol-5-yl)pyrazol-4-yl]-4-chloro-N-cyclopropyl-2-fluorobenzamide

C18H15ClFN5O2S — CID 134328542

IUPAC5-[1-(2-acetamido-1,3-thiazol-5-yl)pyrazol-4-yl]-4-chloro-N-cyclopropyl-2-fluorobenzamide
SMILESCC(=O)Nc1ncc(-n2cc(-c3cc(C(=O)NC4CC4)c(F)cc3Cl)cn2)s1
InChIInChI=1S/C18H15ClFN5O2S/c1-9(26)23-18-21-7-16(28-18)25-8-10(6-22-25)12-4-13(15(20)5-14(12)19)17(27)24-11-2-3-11/h4-8,11H,2-3H2,1H3,(H,24,27)(H,21,23,26)
InChIKeySWAZQAVGXPTDEO-UHFFFAOYSA-N
MW419.87 g/mol
LogP3.64
Rot. Bonds5

About 5-[1-(2-acetamido-1,3-thiazol-5-yl)pyrazol-4-yl]-4-chloro-N-cyclopropyl-2-fluorobenzamide

5-[1-(2-acetamido-1,3-thiazol-5-yl)pyrazol-4-yl]-4-chloro-N-cyclopropyl-2-fluorobenzamide (PubChem CID 134328542) has the molecular formula C18H15ClFN5O2S and a molecular weight of 419.87 g/mol. Its IUPAC name is 5-[1-(2-acetamido-1,3-thiazol-5-yl)pyrazol-4-yl]-4-chloro-N-cyclopropyl-2-fluorobenzamide.

Molecular Properties

Compound Name5-[1-(2-acetamido-1,3-thiazol-5-yl)pyrazol-4-yl]-4-chloro-N-cyclopropyl-2-fluorobenzamide
PubChem CID134328542
Molecular FormulaC18H15ClFN5O2S
Molecular Weight419.87 g/mol
Exact Mass419.06
IUPAC Name5-[1-(2-acetamido-1,3-thiazol-5-yl)pyrazol-4-yl]-4-chloro-N-cyclopropyl-2-fluorobenzamide
SMILESCC(=O)Nc1ncc(-n2cc(-c3cc(C(=O)NC4CC4)c(F)cc3Cl)cn2)s1
InChIInChI=1S/C18H15ClFN5O2S/c1-9(26)23-18-21-7-16(28-18)25-8-10(6-22-25)12-4-13(15(20)5-14(12)19)17(27)24-11-2-3-11/h4-8,11H,2-3H2,1H3,(H,24,27)(H,21,23,26)
InChIKeySWAZQAVGXPTDEO-UHFFFAOYSA-N
XLogP3.64
TPSA88.91 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.87
LogP ≤ 53.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[1-(2-acetamido-1,3-thiazol-5-yl)pyrazol-4-yl]-4-chloro-N-cyclopropyl-2-fluorobenzamide?
The IUPAC name of 5-[1-(2-acetamido-1,3-thiazol-5-yl)pyrazol-4-yl]-4-chloro-N-cyclopropyl-2-fluorobenzamide (CID 134328542) is 5-[1-(2-acetamido-1,3-thiazol-5-yl)pyrazol-4-yl]-4-chloro-N-cyclopropyl-2-fluorobenzamide.
What is the SMILES notation for 5-[1-(2-acetamido-1,3-thiazol-5-yl)pyrazol-4-yl]-4-chloro-N-cyclopropyl-2-fluorobenzamide?
The canonical SMILES for 5-[1-(2-acetamido-1,3-thiazol-5-yl)pyrazol-4-yl]-4-chloro-N-cyclopropyl-2-fluorobenzamide is CC(=O)Nc1ncc(-n2cc(-c3cc(C(=O)NC4CC4)c(F)cc3Cl)cn2)s1.
What is the InChIKey of 5-[1-(2-acetamido-1,3-thiazol-5-yl)pyrazol-4-yl]-4-chloro-N-cyclopropyl-2-fluorobenzamide?
The InChIKey is SWAZQAVGXPTDEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15ClFN5O2S/c1-9(26)23-18-21-7-16(28-18)25-8-10(6-22-25)12-4-13(15(20)5-14(12)19)17(27)24-11-2-3-11/h4-8,11H,2-3H2,1H3,(H,24,27)(H,21,23,26).
What are the key properties of 5-[1-(2-acetamido-1,3-thiazol-5-yl)pyrazol-4-yl]-4-chloro-N-cyclopropyl-2-fluorobenzamide?
5-[1-(2-acetamido-1,3-thiazol-5-yl)pyrazol-4-yl]-4-chloro-N-cyclopropyl-2-fluorobenzamide has a molecular weight of 419.87 g/mol, XLogP of 3.64, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(2-acetamido-1,3-thiazol-5-yl)pyrazol-4-yl]-4-chloro-N-cyclopropyl-2-fluorobenzamide is sourced from PubChem (CID 134328542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).