2-(2-chloro-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]anilino)-N-(2-methoxyethyl)propanamide

C22H24ClN3O2S — CID 83288455

IUPAC2-(2-chloro-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]anilino)-N-(2-methoxyethyl)propanamide
SMILESCOCCNC(=O)C(C)N(c1nc(-c2ccc(C)cc2)cs1)c1ccccc1Cl
InChIInChI=1S/C22H24ClN3O2S/c1-15-8-10-17(11-9-15)19-14-29-22(25-19)26(20-7-5-4-6-18(20)23)16(2)21(27)24-12-13-28-3/h4-11,14,16H,12-13H2,1-3H3,(H,24,27)
InChIKeyPHJCKTDFHNJHPE-UHFFFAOYSA-N
MW429.97 g/mol
LogP5.06
Rot. Bonds8

About 2-(2-chloro-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]anilino)-N-(2-methoxyethyl)propanamide

2-(2-chloro-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]anilino)-N-(2-methoxyethyl)propanamide (PubChem CID 83288455) has the molecular formula C22H24ClN3O2S and a molecular weight of 429.97 g/mol. Its IUPAC name is 2-(2-chloro-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]anilino)-N-(2-methoxyethyl)propanamide.

Molecular Properties

Compound Name2-(2-chloro-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]anilino)-N-(2-methoxyethyl)propanamide
PubChem CID83288455
Molecular FormulaC22H24ClN3O2S
Molecular Weight429.97 g/mol
Exact Mass429.13
IUPAC Name2-(2-chloro-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]anilino)-N-(2-methoxyethyl)propanamide
SMILESCOCCNC(=O)C(C)N(c1nc(-c2ccc(C)cc2)cs1)c1ccccc1Cl
InChIInChI=1S/C22H24ClN3O2S/c1-15-8-10-17(11-9-15)19-14-29-22(25-19)26(20-7-5-4-6-18(20)23)16(2)21(27)24-12-13-28-3/h4-11,14,16H,12-13H2,1-3H3,(H,24,27)
InChIKeyPHJCKTDFHNJHPE-UHFFFAOYSA-N
XLogP5.06
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500429.97
LogP ≤ 55.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(2R)-N-[(4-fluorophenyl)methyl]-2-(2-methoxy-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]anilino)propanamide
CID 93307170
N-(2-methoxyethyl)-4-[[[4-(4-methylphenyl)-1,3-thiazol-2-yl]-(2-phenoxyethyl)amino]methyl]benzamide
CID 58675065
N-(2,5-dimethylphenyl)-3-methoxy-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]propanamide
CID 99816434
N-(2-methoxyethyl)-2-[4-(2-pyridin-4-yl-1,3-thiazol-4-yl)phenyl]acetamide
CID 93191640
N-[(2-chlorophenyl)methyl]-4-(2-methyl-1,3-thiazol-4-yl)benzamide
CID 53037569
N-[(2S)-1-methoxypropan-2-yl]-4-(4-methylphenyl)-1,3-thiazol-2-amine
CID 9268587
2-(2-chlorophenyl)sulfanyl-N-(2-methoxyethyl)acetamide
CID 112778862
(2R)-N-(2-methoxyethyl)-2-(4-methylphenyl)sulfanylpropanamide
CID 39082812
N-[(2-methoxyphenyl)methyl]-2-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]sulfanyl]acetamide
CID 7804926
2-(2-methoxy-N-(4-phenyl-1,3-thiazol-2-yl)anilino)-N-propan-2-ylacetamide
CID 46137583
N-(3-methoxypropyl)-2-(4-methylphenyl)-1,3-thiazole-4-carboxamide
CID 51204736
N-(2,5-dimethylphenyl)-2-methyl-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]butanamide
CID 75867516

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]anilino)-N-(2-methoxyethyl)propanamide?
The IUPAC name of 2-(2-chloro-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]anilino)-N-(2-methoxyethyl)propanamide (CID 83288455) is 2-(2-chloro-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]anilino)-N-(2-methoxyethyl)propanamide.
What is the SMILES notation for 2-(2-chloro-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]anilino)-N-(2-methoxyethyl)propanamide?
The canonical SMILES for 2-(2-chloro-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]anilino)-N-(2-methoxyethyl)propanamide is COCCNC(=O)C(C)N(c1nc(-c2ccc(C)cc2)cs1)c1ccccc1Cl.
What is the InChIKey of 2-(2-chloro-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]anilino)-N-(2-methoxyethyl)propanamide?
The InChIKey is PHJCKTDFHNJHPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24ClN3O2S/c1-15-8-10-17(11-9-15)19-14-29-22(25-19)26(20-7-5-4-6-18(20)23)16(2)21(27)24-12-13-28-3/h4-11,14,16H,12-13H2,1-3H3,(H,24,27).
What are the key properties of 2-(2-chloro-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]anilino)-N-(2-methoxyethyl)propanamide?
2-(2-chloro-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]anilino)-N-(2-methoxyethyl)propanamide has a molecular weight of 429.97 g/mol, XLogP of 5.06, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]anilino)-N-(2-methoxyethyl)propanamide is sourced from PubChem (CID 83288455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).