N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-2-[2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]acetamide

C19H20FN5OS — CID 46981078

IUPACN-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-2-[2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]acetamide
SMILESO=C(CN1CCCC1Cn1cccn1)Nc1nc(-c2ccc(F)cc2)cs1
InChIInChI=1S/C19H20FN5OS/c20-15-6-4-14(5-7-15)17-13-27-19(22-17)23-18(26)12-24-9-1-3-16(24)11-25-10-2-8-21-25/h2,4-8,10,13,16H,1,3,9,11-12H2,(H,22,23,26)
InChIKeyHCAYZPICLMHHHA-UHFFFAOYSA-N
MW385.47 g/mol
LogP3.25
Rot. Bonds6

About N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-2-[2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]acetamide

N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-2-[2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]acetamide (PubChem CID 46981078) has the molecular formula C19H20FN5OS and a molecular weight of 385.47 g/mol. Its IUPAC name is N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-2-[2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]acetamide.

Molecular Properties

Compound NameN-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-2-[2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]acetamide
PubChem CID46981078
Molecular FormulaC19H20FN5OS
Molecular Weight385.47 g/mol
Exact Mass385.14
IUPAC NameN-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-2-[2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]acetamide
SMILESO=C(CN1CCCC1Cn1cccn1)Nc1nc(-c2ccc(F)cc2)cs1
InChIInChI=1S/C19H20FN5OS/c20-15-6-4-14(5-7-15)17-13-27-19(22-17)23-18(26)12-24-9-1-3-16(24)11-25-10-2-8-21-25/h2,4-8,10,13,16H,1,3,9,11-12H2,(H,22,23,26)
InChIKeyHCAYZPICLMHHHA-UHFFFAOYSA-N
XLogP3.25
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.47
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-2-[2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]acetamide?
The IUPAC name of N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-2-[2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]acetamide (CID 46981078) is N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-2-[2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]acetamide.
What is the SMILES notation for N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-2-[2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]acetamide?
The canonical SMILES for N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-2-[2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]acetamide is O=C(CN1CCCC1Cn1cccn1)Nc1nc(-c2ccc(F)cc2)cs1.
What is the InChIKey of N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-2-[2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]acetamide?
The InChIKey is HCAYZPICLMHHHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20FN5OS/c20-15-6-4-14(5-7-15)17-13-27-19(22-17)23-18(26)12-24-9-1-3-16(24)11-25-10-2-8-21-25/h2,4-8,10,13,16H,1,3,9,11-12H2,(H,22,23,26).
What are the key properties of N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-2-[2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]acetamide?
N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-2-[2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]acetamide has a molecular weight of 385.47 g/mol, XLogP of 3.25, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-2-[2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]acetamide is sourced from PubChem (CID 46981078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).