2-(4-chlorophenyl)-2-cyclopropyl-N-[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)ethyl]acetamide

C21H20ClN3OS — CID 110305204

IUPAC2-(4-chlorophenyl)-2-cyclopropyl-N-[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)ethyl]acetamide
SMILESO=C(NCCc1csc(-c2cccnc2)n1)C(c1ccc(Cl)cc1)C1CC1
InChIInChI=1S/C21H20ClN3OS/c22-17-7-5-15(6-8-17)19(14-3-4-14)20(26)24-11-9-18-13-27-21(25-18)16-2-1-10-23-12-16/h1-2,5-8,10,12-14,19H,3-4,9,11H2,(H,24,26)
InChIKeyADOHZRCVBBWWCF-UHFFFAOYSA-N
MW397.93 g/mol
LogP4.71
Rot. Bonds7

About 2-(4-chlorophenyl)-2-cyclopropyl-N-[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)ethyl]acetamide

2-(4-chlorophenyl)-2-cyclopropyl-N-[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)ethyl]acetamide (PubChem CID 110305204) has the molecular formula C21H20ClN3OS and a molecular weight of 397.93 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-2-cyclopropyl-N-[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)ethyl]acetamide.

Molecular Properties

Compound Name2-(4-chlorophenyl)-2-cyclopropyl-N-[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)ethyl]acetamide
PubChem CID110305204
Molecular FormulaC21H20ClN3OS
Molecular Weight397.93 g/mol
Exact Mass397.10
IUPAC Name2-(4-chlorophenyl)-2-cyclopropyl-N-[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)ethyl]acetamide
SMILESO=C(NCCc1csc(-c2cccnc2)n1)C(c1ccc(Cl)cc1)C1CC1
InChIInChI=1S/C21H20ClN3OS/c22-17-7-5-15(6-8-17)19(14-3-4-14)20(26)24-11-9-18-13-27-21(25-18)16-2-1-10-23-12-16/h1-2,5-8,10,12-14,19H,3-4,9,11H2,(H,24,26)
InChIKeyADOHZRCVBBWWCF-UHFFFAOYSA-N
XLogP4.71
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.93
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3R)-1,1-dioxo-N-[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)ethyl]thiolane-3-carboxamide
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2-(4-chlorophenyl)-N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]acetamide
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6-amino-N-[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)ethyl]pyridine-3-carboxamide
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Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-2-cyclopropyl-N-[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)ethyl]acetamide?
The IUPAC name of 2-(4-chlorophenyl)-2-cyclopropyl-N-[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)ethyl]acetamide (CID 110305204) is 2-(4-chlorophenyl)-2-cyclopropyl-N-[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)ethyl]acetamide.
What is the SMILES notation for 2-(4-chlorophenyl)-2-cyclopropyl-N-[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)ethyl]acetamide?
The canonical SMILES for 2-(4-chlorophenyl)-2-cyclopropyl-N-[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)ethyl]acetamide is O=C(NCCc1csc(-c2cccnc2)n1)C(c1ccc(Cl)cc1)C1CC1.
What is the InChIKey of 2-(4-chlorophenyl)-2-cyclopropyl-N-[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)ethyl]acetamide?
The InChIKey is ADOHZRCVBBWWCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20ClN3OS/c22-17-7-5-15(6-8-17)19(14-3-4-14)20(26)24-11-9-18-13-27-21(25-18)16-2-1-10-23-12-16/h1-2,5-8,10,12-14,19H,3-4,9,11H2,(H,24,26).
What are the key properties of 2-(4-chlorophenyl)-2-cyclopropyl-N-[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)ethyl]acetamide?
2-(4-chlorophenyl)-2-cyclopropyl-N-[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)ethyl]acetamide has a molecular weight of 397.93 g/mol, XLogP of 4.71, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-2-cyclopropyl-N-[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)ethyl]acetamide is sourced from PubChem (CID 110305204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).