N-[3-chloro-4-[2-(diethylamino)-2-oxoethoxy]phenyl]-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetamide

C22H23ClN4O3S — CID 55611126

IUPACN-[3-chloro-4-[2-(diethylamino)-2-oxoethoxy]phenyl]-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetamide
SMILESCCN(CC)C(=O)COc1ccc(NC(=O)Cc2csc(-c3cccnc3)n2)cc1Cl
InChIInChI=1S/C22H23ClN4O3S/c1-3-27(4-2)21(29)13-30-19-8-7-16(10-18(19)23)25-20(28)11-17-14-31-22(26-17)15-6-5-9-24-12-15/h5-10,12,14H,3-4,11,13H2,1-2H3,(H,25,28)
InChIKeyFUYSPYSOPZHTLY-UHFFFAOYSA-N
MW458.97 g/mol
LogP4.29
Rot. Bonds9

About N-[3-chloro-4-[2-(diethylamino)-2-oxoethoxy]phenyl]-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetamide

N-[3-chloro-4-[2-(diethylamino)-2-oxoethoxy]phenyl]-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetamide (PubChem CID 55611126) has the molecular formula C22H23ClN4O3S and a molecular weight of 458.97 g/mol. Its IUPAC name is N-[3-chloro-4-[2-(diethylamino)-2-oxoethoxy]phenyl]-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetamide.

Molecular Properties

Compound NameN-[3-chloro-4-[2-(diethylamino)-2-oxoethoxy]phenyl]-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetamide
PubChem CID55611126
Molecular FormulaC22H23ClN4O3S
Molecular Weight458.97 g/mol
Exact Mass458.12
IUPAC NameN-[3-chloro-4-[2-(diethylamino)-2-oxoethoxy]phenyl]-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetamide
SMILESCCN(CC)C(=O)COc1ccc(NC(=O)Cc2csc(-c3cccnc3)n2)cc1Cl
InChIInChI=1S/C22H23ClN4O3S/c1-3-27(4-2)21(29)13-30-19-8-7-16(10-18(19)23)25-20(28)11-17-14-31-22(26-17)15-6-5-9-24-12-15/h5-10,12,14H,3-4,11,13H2,1-2H3,(H,25,28)
InChIKeyFUYSPYSOPZHTLY-UHFFFAOYSA-N
XLogP4.29
TPSA84.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.97
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(4-ethoxy-3-methoxyphenyl)-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetamide
CID 78810478
N-(3-chloro-4-methoxyphenyl)-3-(2-pyridin-3-yl-1,3-thiazol-4-yl)propanamide
CID 110329941
N-(3,4-dimethylphenyl)-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetamide
CID 9191701
N-(3-acetamidophenyl)-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetamide
CID 51204752
N-[3-[[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetyl]amino]phenyl]butanamide
CID 87026182
N-(4-butylphenyl)-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetamide
CID 78811718
N,N-diethyl-4-[[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetyl]amino]butanamide
CID 60513365
N-(3,5-dimethoxyphenyl)-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetamide
CID 9192230
N-(3-chloro-4-methoxyphenyl)-2-[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]acetamide
CID 46585965
[2-(4-ethoxyanilino)-2-oxoethyl] 2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetate
CID 8919041
N-[3-chloro-4-[2-(diethylamino)-2-oxoethoxy]phenyl]-2-(2-chlorophenoxy)acetamide
CID 55611272
2-(4-aminophenyl)-N-[3-chloro-4-[2-(diethylamino)-2-oxoethoxy]phenyl]acetamide
CID 119717697

Frequently Asked Questions

What is the IUPAC name of N-[3-chloro-4-[2-(diethylamino)-2-oxoethoxy]phenyl]-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetamide?
The IUPAC name of N-[3-chloro-4-[2-(diethylamino)-2-oxoethoxy]phenyl]-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetamide (CID 55611126) is N-[3-chloro-4-[2-(diethylamino)-2-oxoethoxy]phenyl]-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetamide.
What is the SMILES notation for N-[3-chloro-4-[2-(diethylamino)-2-oxoethoxy]phenyl]-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetamide?
The canonical SMILES for N-[3-chloro-4-[2-(diethylamino)-2-oxoethoxy]phenyl]-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetamide is CCN(CC)C(=O)COc1ccc(NC(=O)Cc2csc(-c3cccnc3)n2)cc1Cl.
What is the InChIKey of N-[3-chloro-4-[2-(diethylamino)-2-oxoethoxy]phenyl]-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetamide?
The InChIKey is FUYSPYSOPZHTLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23ClN4O3S/c1-3-27(4-2)21(29)13-30-19-8-7-16(10-18(19)23)25-20(28)11-17-14-31-22(26-17)15-6-5-9-24-12-15/h5-10,12,14H,3-4,11,13H2,1-2H3,(H,25,28).
What are the key properties of N-[3-chloro-4-[2-(diethylamino)-2-oxoethoxy]phenyl]-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetamide?
N-[3-chloro-4-[2-(diethylamino)-2-oxoethoxy]phenyl]-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetamide has a molecular weight of 458.97 g/mol, XLogP of 4.29, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-chloro-4-[2-(diethylamino)-2-oxoethoxy]phenyl]-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetamide is sourced from PubChem (CID 55611126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).