2-(4-chlorophenyl)-2-(dimethylamino)-N-(1,3-thiazol-2-ylmethyl)acetamide

C14H16ClN3OS — CID 126819847

IUPAC2-(4-chlorophenyl)-2-(dimethylamino)-N-(1,3-thiazol-2-ylmethyl)acetamide
SMILESCN(C)C(C(=O)NCc1nccs1)c1ccc(Cl)cc1
InChIInChI=1S/C14H16ClN3OS/c1-18(2)13(10-3-5-11(15)6-4-10)14(19)17-9-12-16-7-8-20-12/h3-8,13H,9H2,1-2H3,(H,17,19)
InChIKeyXUBWSTUMXXQMBP-UHFFFAOYSA-N
MW309.82 g/mol
LogP2.72
Rot. Bonds5

About 2-(4-chlorophenyl)-2-(dimethylamino)-N-(1,3-thiazol-2-ylmethyl)acetamide

2-(4-chlorophenyl)-2-(dimethylamino)-N-(1,3-thiazol-2-ylmethyl)acetamide (PubChem CID 126819847) has the molecular formula C14H16ClN3OS and a molecular weight of 309.82 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-2-(dimethylamino)-N-(1,3-thiazol-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-(4-chlorophenyl)-2-(dimethylamino)-N-(1,3-thiazol-2-ylmethyl)acetamide
PubChem CID126819847
Molecular FormulaC14H16ClN3OS
Molecular Weight309.82 g/mol
Exact Mass309.07
IUPAC Name2-(4-chlorophenyl)-2-(dimethylamino)-N-(1,3-thiazol-2-ylmethyl)acetamide
SMILESCN(C)C(C(=O)NCc1nccs1)c1ccc(Cl)cc1
InChIInChI=1S/C14H16ClN3OS/c1-18(2)13(10-3-5-11(15)6-4-10)14(19)17-9-12-16-7-8-20-12/h3-8,13H,9H2,1-2H3,(H,17,19)
InChIKeyXUBWSTUMXXQMBP-UHFFFAOYSA-N
XLogP2.72
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.82
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(1S)-1-(4-chlorophenyl)-N-(1,3-thiazol-2-ylmethyl)ethanamine
CID 81353359
2-(dimethylamino)-2-phenyl-N-(1,3-thiazol-2-yl)acetamide
CID 47839437
ethane;N-(1,3-thiazol-2-ylmethyl)acetamide
CID 177244063
(3R)-3-(4-chlorophenyl)-N-methyl-3-phenyl-N-(1,3-thiazol-2-ylmethyl)propanamide
CID 42117371
(2S)-2-amino-N-(1,3-thiazol-2-ylmethyl)butanamide
CID 79023405
(2S)-2-(4-chlorophenyl)-N-(1,3-thiazol-2-yl)propanamide
CID 46226333
(2R)-2-(4-chlorophenyl)-2-(dimethylamino)-N-[(3-methyloxetan-3-yl)methyl]acetamide
CID 51599913
2-phenyl-N-(1,3-thiazol-2-ylmethyl)pentanamide
CID 129204775
N-[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]-2-(dimethylamino)-2-phenylacetamide
CID 110625358
2-amino-N-(1,3-thiazol-2-ylmethyl)pentanamide
CID 61283682
(2R)-2-amino-4-methyl-N-(1,3-thiazol-2-ylmethyl)pentanamide
CID 104903307
2-(dimethylamino)-N-[(2,6-dimethyl-4-pyridinyl)methyl]-2-(4-methylphenyl)acetamide
CID 72873453

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-2-(dimethylamino)-N-(1,3-thiazol-2-ylmethyl)acetamide?
The IUPAC name of 2-(4-chlorophenyl)-2-(dimethylamino)-N-(1,3-thiazol-2-ylmethyl)acetamide (CID 126819847) is 2-(4-chlorophenyl)-2-(dimethylamino)-N-(1,3-thiazol-2-ylmethyl)acetamide.
What is the SMILES notation for 2-(4-chlorophenyl)-2-(dimethylamino)-N-(1,3-thiazol-2-ylmethyl)acetamide?
The canonical SMILES for 2-(4-chlorophenyl)-2-(dimethylamino)-N-(1,3-thiazol-2-ylmethyl)acetamide is CN(C)C(C(=O)NCc1nccs1)c1ccc(Cl)cc1.
What is the InChIKey of 2-(4-chlorophenyl)-2-(dimethylamino)-N-(1,3-thiazol-2-ylmethyl)acetamide?
The InChIKey is XUBWSTUMXXQMBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClN3OS/c1-18(2)13(10-3-5-11(15)6-4-10)14(19)17-9-12-16-7-8-20-12/h3-8,13H,9H2,1-2H3,(H,17,19).
What are the key properties of 2-(4-chlorophenyl)-2-(dimethylamino)-N-(1,3-thiazol-2-ylmethyl)acetamide?
2-(4-chlorophenyl)-2-(dimethylamino)-N-(1,3-thiazol-2-ylmethyl)acetamide has a molecular weight of 309.82 g/mol, XLogP of 2.72, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-2-(dimethylamino)-N-(1,3-thiazol-2-ylmethyl)acetamide is sourced from PubChem (CID 126819847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).