(2S)-2-(4-chlorophenoxy)-N-[4-(2,4,5-trimethylphenyl)-1,3-thiazol-2-yl]propanamide

C21H21ClN2O2S — CID 7924820

IUPAC(2S)-2-(4-chlorophenoxy)-N-[4-(2,4,5-trimethylphenyl)-1,3-thiazol-2-yl]propanamide
SMILESCc1cc(C)c(-c2csc(NC(=O)[C@H](C)Oc3ccc(Cl)cc3)n2)cc1C
InChIInChI=1S/C21H21ClN2O2S/c1-12-9-14(3)18(10-13(12)2)19-11-27-21(23-19)24-20(25)15(4)26-17-7-5-16(22)6-8-17/h5-11,15H,1-4H3,(H,23,24,25)/t15-/m0/s1
InChIKeyLHMNFCVNMKSFKD-HNNXBMFYSA-N
MW400.93 g/mol
LogP5.79
Rot. Bonds5

About (2S)-2-(4-chlorophenoxy)-N-[4-(2,4,5-trimethylphenyl)-1,3-thiazol-2-yl]propanamide

(2S)-2-(4-chlorophenoxy)-N-[4-(2,4,5-trimethylphenyl)-1,3-thiazol-2-yl]propanamide (PubChem CID 7924820) has the molecular formula C21H21ClN2O2S and a molecular weight of 400.93 g/mol. Its IUPAC name is (2S)-2-(4-chlorophenoxy)-N-[4-(2,4,5-trimethylphenyl)-1,3-thiazol-2-yl]propanamide.

Molecular Properties

Compound Name(2S)-2-(4-chlorophenoxy)-N-[4-(2,4,5-trimethylphenyl)-1,3-thiazol-2-yl]propanamide
PubChem CID7924820
Molecular FormulaC21H21ClN2O2S
Molecular Weight400.93 g/mol
Exact Mass400.10
IUPAC Name(2S)-2-(4-chlorophenoxy)-N-[4-(2,4,5-trimethylphenyl)-1,3-thiazol-2-yl]propanamide
SMILESCc1cc(C)c(-c2csc(NC(=O)[C@H](C)Oc3ccc(Cl)cc3)n2)cc1C
InChIInChI=1S/C21H21ClN2O2S/c1-12-9-14(3)18(10-13(12)2)19-11-27-21(23-19)24-20(25)15(4)26-17-7-5-16(22)6-8-17/h5-11,15H,1-4H3,(H,23,24,25)/t15-/m0/s1
InChIKeyLHMNFCVNMKSFKD-HNNXBMFYSA-N
XLogP5.79
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500400.93
LogP ≤ 55.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-chlorophenoxy)-N-[4-(4-propylphenyl)-1,3-thiazol-2-yl]propanamide
CID 4025035
N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-(4-methylphenoxy)propanamide
CID 42994672
2-(4-chloro-3,5-dimethylphenoxy)-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]propanamide
CID 19191692
2-[2-[2-(4-chlorophenoxy)propanoylamino]-1,3-thiazol-4-yl]acetic acid
CID 45388233
N-[4-(4-acetamido-2-fluorophenyl)-1,3-thiazol-2-yl]-2-(4-methoxyphenoxy)propanamide
CID 46519571
N-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]-2-(4-chlorophenoxy)propanamide
CID 51258071
2-(4-chlorophenoxy)-N-[4-(1,3,3-trimethyl-2-oxoindol-5-yl)-1,3-thiazol-2-yl]propanamide
CID 108754671
2-(4-chloro-3-methylphenoxy)-N-[4-(2,4,5-trimethylphenyl)-1,3-thiazol-2-yl]acetamide
CID 7924827
2-(4-chloro-2-methylphenoxy)-N-(4-phenyl-1,3-thiazol-2-yl)propanamide
CID 4192388
N-(4-phenyl-1,3-thiazol-2-yl)-2-(4-propan-2-ylphenoxy)propanamide
CID 108769760
(2S)-N-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-2-(4-methylphenoxy)propanamide
CID 26893877
2-(4-bromophenoxy)-N-(4-methyl-1,3-thiazol-2-yl)propanamide
CID 2970521

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(4-chlorophenoxy)-N-[4-(2,4,5-trimethylphenyl)-1,3-thiazol-2-yl]propanamide?
The IUPAC name of (2S)-2-(4-chlorophenoxy)-N-[4-(2,4,5-trimethylphenyl)-1,3-thiazol-2-yl]propanamide (CID 7924820) is (2S)-2-(4-chlorophenoxy)-N-[4-(2,4,5-trimethylphenyl)-1,3-thiazol-2-yl]propanamide.
What is the SMILES notation for (2S)-2-(4-chlorophenoxy)-N-[4-(2,4,5-trimethylphenyl)-1,3-thiazol-2-yl]propanamide?
The canonical SMILES for (2S)-2-(4-chlorophenoxy)-N-[4-(2,4,5-trimethylphenyl)-1,3-thiazol-2-yl]propanamide is Cc1cc(C)c(-c2csc(NC(=O)[C@H](C)Oc3ccc(Cl)cc3)n2)cc1C.
What is the InChIKey of (2S)-2-(4-chlorophenoxy)-N-[4-(2,4,5-trimethylphenyl)-1,3-thiazol-2-yl]propanamide?
The InChIKey is LHMNFCVNMKSFKD-HNNXBMFYSA-N. The full InChI is InChI=1S/C21H21ClN2O2S/c1-12-9-14(3)18(10-13(12)2)19-11-27-21(23-19)24-20(25)15(4)26-17-7-5-16(22)6-8-17/h5-11,15H,1-4H3,(H,23,24,25)/t15-/m0/s1.
What are the key properties of (2S)-2-(4-chlorophenoxy)-N-[4-(2,4,5-trimethylphenyl)-1,3-thiazol-2-yl]propanamide?
(2S)-2-(4-chlorophenoxy)-N-[4-(2,4,5-trimethylphenyl)-1,3-thiazol-2-yl]propanamide has a molecular weight of 400.93 g/mol, XLogP of 5.79, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(4-chlorophenoxy)-N-[4-(2,4,5-trimethylphenyl)-1,3-thiazol-2-yl]propanamide is sourced from PubChem (CID 7924820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).