N-[2-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]ethyl]-4-propan-2-yloxybenzamide

C21H21ClN2O2S — CID 7216558

IUPACN-[2-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]ethyl]-4-propan-2-yloxybenzamide
SMILESCC(C)Oc1ccc(C(=O)NCCc2csc(-c3ccc(Cl)cc3)n2)cc1
InChIInChI=1S/C21H21ClN2O2S/c1-14(2)26-19-9-5-15(6-10-19)20(25)23-12-11-18-13-27-21(24-18)16-3-7-17(22)8-4-16/h3-10,13-14H,11-12H2,1-2H3,(H,23,25)
InChIKeyQDZMUYXSFWPIPL-UHFFFAOYSA-N
MW400.93 g/mol
LogP5.22
Rot. Bonds7

About N-[2-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]ethyl]-4-propan-2-yloxybenzamide

N-[2-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]ethyl]-4-propan-2-yloxybenzamide (PubChem CID 7216558) has the molecular formula C21H21ClN2O2S and a molecular weight of 400.93 g/mol. Its IUPAC name is N-[2-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]ethyl]-4-propan-2-yloxybenzamide.

Molecular Properties

Compound NameN-[2-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]ethyl]-4-propan-2-yloxybenzamide
PubChem CID7216558
Molecular FormulaC21H21ClN2O2S
Molecular Weight400.93 g/mol
Exact Mass400.10
IUPAC NameN-[2-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]ethyl]-4-propan-2-yloxybenzamide
SMILESCC(C)Oc1ccc(C(=O)NCCc2csc(-c3ccc(Cl)cc3)n2)cc1
InChIInChI=1S/C21H21ClN2O2S/c1-14(2)26-19-9-5-15(6-10-19)20(25)23-12-11-18-13-27-21(24-18)16-3-7-17(22)8-4-16/h3-10,13-14H,11-12H2,1-2H3,(H,23,25)
InChIKeyQDZMUYXSFWPIPL-UHFFFAOYSA-N
XLogP5.22
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500400.93
LogP ≤ 55.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]ethyl]-4-(trifluoromethyl)benzamide
CID 7518387
4-methyl-N-[2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]ethyl]benzamide
CID 7287432
N-[2-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]ethyl]-3,4-dimethoxybenzamide
CID 7216582
3-chloro-N-[2-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]ethyl]-4-methoxybenzamide
CID 35541475
3-chloro-N-[2-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]ethyl]benzamide
CID 7119199
2-(4-chlorophenoxy)-N-[2-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]ethyl]acetamide
CID 7518324
N-[2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]ethyl]-4-propoxybenzamide
CID 35341843
4-bromo-N-[2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]ethyl]benzamide
CID 7287449
N'-[2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]acetyl]-4-propan-2-yloxybenzohydrazide
CID 24514393
N-[2-[5-(4-chlorophenyl)-1,2-oxazol-3-yl]ethyl]-4-methoxybenzamide
CID 110314743
(2S)-2-(4-tert-butylphenoxy)-N-[2-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]ethyl]propanamide
CID 35574095
[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]methyl 2-[(4-chlorobenzoyl)amino]acetate
CID 7879492

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]ethyl]-4-propan-2-yloxybenzamide?
The IUPAC name of N-[2-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]ethyl]-4-propan-2-yloxybenzamide (CID 7216558) is N-[2-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]ethyl]-4-propan-2-yloxybenzamide.
What is the SMILES notation for N-[2-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]ethyl]-4-propan-2-yloxybenzamide?
The canonical SMILES for N-[2-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]ethyl]-4-propan-2-yloxybenzamide is CC(C)Oc1ccc(C(=O)NCCc2csc(-c3ccc(Cl)cc3)n2)cc1.
What is the InChIKey of N-[2-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]ethyl]-4-propan-2-yloxybenzamide?
The InChIKey is QDZMUYXSFWPIPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21ClN2O2S/c1-14(2)26-19-9-5-15(6-10-19)20(25)23-12-11-18-13-27-21(24-18)16-3-7-17(22)8-4-16/h3-10,13-14H,11-12H2,1-2H3,(H,23,25).
What are the key properties of N-[2-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]ethyl]-4-propan-2-yloxybenzamide?
N-[2-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]ethyl]-4-propan-2-yloxybenzamide has a molecular weight of 400.93 g/mol, XLogP of 5.22, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]ethyl]-4-propan-2-yloxybenzamide is sourced from PubChem (CID 7216558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).