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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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).