N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-2-(diethylamino)acetamide

C15H18ClN3OS — CID 1477251

IUPACN-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-2-(diethylamino)acetamide
SMILESCCN(CC)CC(=O)Nc1nc(-c2ccc(Cl)cc2)cs1
InChIInChI=1S/C15H18ClN3OS/c1-3-19(4-2)9-14(20)18-15-17-13(10-21-15)11-5-7-12(16)8-6-11/h5-8,10H,3-4,9H2,1-2H3,(H,17,18,20)
InChIKeyMCELMSQHTKQYLN-UHFFFAOYSA-N
MW323.85 g/mol
LogP3.74
Rot. Bonds6

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

N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-2-(diethylamino)acetamide (PubChem CID 1477251) has the molecular formula C15H18ClN3OS and a molecular weight of 323.85 g/mol. Its IUPAC name is N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-2-(diethylamino)acetamide.

Molecular Properties

Compound NameN-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-2-(diethylamino)acetamide
PubChem CID1477251
Molecular FormulaC15H18ClN3OS
Molecular Weight323.85 g/mol
Exact Mass323.09
IUPAC NameN-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-2-(diethylamino)acetamide
SMILESCCN(CC)CC(=O)Nc1nc(-c2ccc(Cl)cc2)cs1
InChIInChI=1S/C15H18ClN3OS/c1-3-19(4-2)9-14(20)18-15-17-13(10-21-15)11-5-7-12(16)8-6-11/h5-8,10H,3-4,9H2,1-2H3,(H,17,18,20)
InChIKeyMCELMSQHTKQYLN-UHFFFAOYSA-N
XLogP3.74
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.85
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

TJ-M2010-5
CID 71542350
2-cyano-N-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]acetamide
CID 2118106
2-Morpholino-N-(4-phenylthiazol-2-yl)acetamide
CID 783107
N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]acetamide
CID 346935
4-(4-Chlorophenyl)-N-2-propen-1-yl-2-thiazolamine
CID 2131650
2-Chloro-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]acetamide
CID 824089
2-chloro-N-(4-phenyl-1,3-thiazol-2-yl)acetamide
CID 2781529
3-(4-Phenyl-1,3-thiazol-2-yl)-2-thioxo-4-imidazolidinone
CID 899465
N-benzyl-N'-(4-phenyl-1,3-thiazol-2-yl)oxamide
CID 1830730
2-Morpholino-N-(4-(p-tolyl)thiazol-2-yl)acetamide
CID 2336901
4-chloro-N-[4-[(4-methyl-1,3-thiazol-2-yl)amino]-4-oxobutyl]benzamide
CID 4827689
4-[4-(4-Chlorophenyl)-1,3-thiazol-2-yl]thiomorpholine
CID 626588

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-2-(diethylamino)acetamide?
The IUPAC name of N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-2-(diethylamino)acetamide (CID 1477251) is N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-2-(diethylamino)acetamide.
What is the SMILES notation for N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-2-(diethylamino)acetamide?
The canonical SMILES for N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-2-(diethylamino)acetamide is CCN(CC)CC(=O)Nc1nc(-c2ccc(Cl)cc2)cs1.
What is the InChIKey of N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-2-(diethylamino)acetamide?
The InChIKey is MCELMSQHTKQYLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClN3OS/c1-3-19(4-2)9-14(20)18-15-17-13(10-21-15)11-5-7-12(16)8-6-11/h5-8,10H,3-4,9H2,1-2H3,(H,17,18,20).
What are the key properties of N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-2-(diethylamino)acetamide?
N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-2-(diethylamino)acetamide has a molecular weight of 323.85 g/mol, XLogP of 3.74, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-2-(diethylamino)acetamide is sourced from PubChem (CID 1477251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).