N-(5-chloro-2-methylphenyl)-2-[[2-(3-methoxyphenyl)-1,3-thiazol-4-yl]methylsulfanyl]propanamide

C21H21ClN2O2S2 — CID 55569744

IUPACN-(5-chloro-2-methylphenyl)-2-[[2-(3-methoxyphenyl)-1,3-thiazol-4-yl]methylsulfanyl]propanamide
SMILESCOc1cccc(-c2nc(CSC(C)C(=O)Nc3cc(Cl)ccc3C)cs2)c1
InChIInChI=1S/C21H21ClN2O2S2/c1-13-7-8-16(22)10-19(13)24-20(25)14(2)27-11-17-12-28-21(23-17)15-5-4-6-18(9-15)26-3/h4-10,12,14H,11H2,1-3H3,(H,24,25)
InChIKeyPOTZSRFDFOKYNW-UHFFFAOYSA-N
MW433.00 g/mol
LogP6.04
Rot. Bonds7

About N-(5-chloro-2-methylphenyl)-2-[[2-(3-methoxyphenyl)-1,3-thiazol-4-yl]methylsulfanyl]propanamide

N-(5-chloro-2-methylphenyl)-2-[[2-(3-methoxyphenyl)-1,3-thiazol-4-yl]methylsulfanyl]propanamide (PubChem CID 55569744) has the molecular formula C21H21ClN2O2S2 and a molecular weight of 433.00 g/mol. Its IUPAC name is N-(5-chloro-2-methylphenyl)-2-[[2-(3-methoxyphenyl)-1,3-thiazol-4-yl]methylsulfanyl]propanamide.

Molecular Properties

Compound NameN-(5-chloro-2-methylphenyl)-2-[[2-(3-methoxyphenyl)-1,3-thiazol-4-yl]methylsulfanyl]propanamide
PubChem CID55569744
Molecular FormulaC21H21ClN2O2S2
Molecular Weight433.00 g/mol
Exact Mass432.07
IUPAC NameN-(5-chloro-2-methylphenyl)-2-[[2-(3-methoxyphenyl)-1,3-thiazol-4-yl]methylsulfanyl]propanamide
SMILESCOc1cccc(-c2nc(CSC(C)C(=O)Nc3cc(Cl)ccc3C)cs2)c1
InChIInChI=1S/C21H21ClN2O2S2/c1-13-7-8-16(22)10-19(13)24-20(25)14(2)27-11-17-12-28-21(23-17)15-5-4-6-18(9-15)26-3/h4-10,12,14H,11H2,1-3H3,(H,24,25)
InChIKeyPOTZSRFDFOKYNW-UHFFFAOYSA-N
XLogP6.04
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500433.00
LogP ≤ 56.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(5-chloro-2-methylphenyl)-2-[[2-(3-methoxyphenyl)-1,3-thiazol-4-yl]methylsulfanyl]propanamide with MolForge

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Related Compounds

N-(2-fluorophenyl)-2-[[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]methylsulfanyl]propanamide
CID 46581005
(2R)-N-(5-chloro-2-methylphenyl)-2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]propanamide
CID 34508270
N-(5-chloro-2-methylphenyl)-2-[2-(4-methoxyphenoxy)ethylsulfanyl]propanamide
CID 55436710
N-[(4-chlorophenyl)methyl]-2-[[2-(3-methoxyphenyl)-1,3-thiazol-4-yl]methylsulfanyl]acetamide
CID 55570036
2-[[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]methylsulfanyl]-N-(4-methoxyphenyl)propanamide
CID 42951212
N-(2-fluorophenyl)-2-[[2-(3-methoxyphenyl)-1,3-thiazol-4-yl]methylsulfanyl]acetamide
CID 84603566
2-[[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]methylsulfanyl]-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 47023536
2-[(3-bromophenyl)methylsulfanyl]-N-(5-chloro-2-methylphenyl)propanamide
CID 47011599
1-[2-(3-methoxyphenyl)-1,3-thiazol-4-yl]propan-2-ol
CID 115089431
2-(3-methoxyphenyl)-4-[(2-methoxyphenyl)sulfanylmethyl]-1,3-thiazole
CID 52772137
2-(3-methoxyphenyl)-4-(2-methylpropyl)-1,3-thiazole
CID 146521628
2-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methylsulfanyl]-N-(3-methylphenyl)propanamide
CID 55570494

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-methylphenyl)-2-[[2-(3-methoxyphenyl)-1,3-thiazol-4-yl]methylsulfanyl]propanamide?
The IUPAC name of N-(5-chloro-2-methylphenyl)-2-[[2-(3-methoxyphenyl)-1,3-thiazol-4-yl]methylsulfanyl]propanamide (CID 55569744) is N-(5-chloro-2-methylphenyl)-2-[[2-(3-methoxyphenyl)-1,3-thiazol-4-yl]methylsulfanyl]propanamide.
What is the SMILES notation for N-(5-chloro-2-methylphenyl)-2-[[2-(3-methoxyphenyl)-1,3-thiazol-4-yl]methylsulfanyl]propanamide?
The canonical SMILES for N-(5-chloro-2-methylphenyl)-2-[[2-(3-methoxyphenyl)-1,3-thiazol-4-yl]methylsulfanyl]propanamide is COc1cccc(-c2nc(CSC(C)C(=O)Nc3cc(Cl)ccc3C)cs2)c1.
What is the InChIKey of N-(5-chloro-2-methylphenyl)-2-[[2-(3-methoxyphenyl)-1,3-thiazol-4-yl]methylsulfanyl]propanamide?
The InChIKey is POTZSRFDFOKYNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21ClN2O2S2/c1-13-7-8-16(22)10-19(13)24-20(25)14(2)27-11-17-12-28-21(23-17)15-5-4-6-18(9-15)26-3/h4-10,12,14H,11H2,1-3H3,(H,24,25).
What are the key properties of N-(5-chloro-2-methylphenyl)-2-[[2-(3-methoxyphenyl)-1,3-thiazol-4-yl]methylsulfanyl]propanamide?
N-(5-chloro-2-methylphenyl)-2-[[2-(3-methoxyphenyl)-1,3-thiazol-4-yl]methylsulfanyl]propanamide has a molecular weight of 433.00 g/mol, XLogP of 6.04, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-methylphenyl)-2-[[2-(3-methoxyphenyl)-1,3-thiazol-4-yl]methylsulfanyl]propanamide is sourced from PubChem (CID 55569744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).