2-benzylsulfanyl-N-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]propanamide

C19H16Cl2N2OS2 — CID 23998455

IUPAC2-benzylsulfanyl-N-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]propanamide
SMILESCC(SCc1ccccc1)C(=O)Nc1nc(-c2ccc(Cl)cc2Cl)cs1
InChIInChI=1S/C19H16Cl2N2OS2/c1-12(25-10-13-5-3-2-4-6-13)18(24)23-19-22-17(11-26-19)15-8-7-14(20)9-16(15)21/h2-9,11-12H,10H2,1H3,(H,22,23,24)
InChIKeySJQFPBNBBADTEP-UHFFFAOYSA-N
MW423.39 g/mol
LogP6.38
Rot. Bonds6

About 2-benzylsulfanyl-N-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]propanamide

2-benzylsulfanyl-N-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]propanamide (PubChem CID 23998455) has the molecular formula C19H16Cl2N2OS2 and a molecular weight of 423.39 g/mol. Its IUPAC name is 2-benzylsulfanyl-N-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]propanamide.

Molecular Properties

Compound Name2-benzylsulfanyl-N-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]propanamide
PubChem CID23998455
Molecular FormulaC19H16Cl2N2OS2
Molecular Weight423.39 g/mol
Exact Mass422.01
IUPAC Name2-benzylsulfanyl-N-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]propanamide
SMILESCC(SCc1ccccc1)C(=O)Nc1nc(-c2ccc(Cl)cc2Cl)cs1
InChIInChI=1S/C19H16Cl2N2OS2/c1-12(25-10-13-5-3-2-4-6-13)18(24)23-19-22-17(11-26-19)15-8-7-14(20)9-16(15)21/h2-9,11-12H,10H2,1H3,(H,22,23,24)
InChIKeySJQFPBNBBADTEP-UHFFFAOYSA-N
XLogP6.38
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500423.39
LogP ≤ 56.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]-2-pyridin-2-ylsulfanylpropanamide
CID 23886661
2,3,4,5-tetrachloro-6-[[4-[1-[[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]amino]-1-oxopropan-2-yl]sulfanylphenyl]carbamoyl]benzoic acid
CID 19713067
(3R)-3-benzyl-4-[[4-(2,5-dichlorophenyl)-1,3-thiazol-2-yl]amino]-4-oxobutanoic acid
CID 46234570
2-(4-chlorophenyl)-N-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]acetamide
CID 1290422
N-[3-[1-[[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]amino]-1-oxopropan-2-yl]sulfanylphenyl]-3-methylbenzamide
CID 18900429
N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-2-(4,6-diaminopyrimidin-2-yl)sulfanylpropanamide
CID 23743440
2,2,2-trichloro-N-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]acetamide
CID 4674763
(2S)-2-benzylsulfanyl-N-(3-chlorophenyl)propanamide
CID 846629
N-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]-3-methylbut-2-enamide
CID 19181152
ethyl 2-[2-(2-benzylsulfanylpropanoylamino)-1,3-thiazol-4-yl]acetate
CID 23886497
N-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]-2-(3-methoxyphenyl)acetamide
CID 16911472
(2R)-N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-2-[(2-methylphenyl)methylsulfanyl]propanamide
CID 9204302

Frequently Asked Questions

What is the IUPAC name of 2-benzylsulfanyl-N-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]propanamide?
The IUPAC name of 2-benzylsulfanyl-N-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]propanamide (CID 23998455) is 2-benzylsulfanyl-N-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]propanamide.
What is the SMILES notation for 2-benzylsulfanyl-N-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]propanamide?
The canonical SMILES for 2-benzylsulfanyl-N-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]propanamide is CC(SCc1ccccc1)C(=O)Nc1nc(-c2ccc(Cl)cc2Cl)cs1.
What is the InChIKey of 2-benzylsulfanyl-N-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]propanamide?
The InChIKey is SJQFPBNBBADTEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16Cl2N2OS2/c1-12(25-10-13-5-3-2-4-6-13)18(24)23-19-22-17(11-26-19)15-8-7-14(20)9-16(15)21/h2-9,11-12H,10H2,1H3,(H,22,23,24).
What are the key properties of 2-benzylsulfanyl-N-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]propanamide?
2-benzylsulfanyl-N-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]propanamide has a molecular weight of 423.39 g/mol, XLogP of 6.38, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzylsulfanyl-N-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]propanamide is sourced from PubChem (CID 23998455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).