N-[4-(2,5-dichlorothiophen-3-yl)-1,3-thiazol-2-yl]-2-phenylsulfanylacetamide

C15H10Cl2N2OS3 — CID 8609952

IUPACN-[4-(2,5-dichlorothiophen-3-yl)-1,3-thiazol-2-yl]-2-phenylsulfanylacetamide
SMILESO=C(CSc1ccccc1)Nc1nc(-c2cc(Cl)sc2Cl)cs1
InChIInChI=1S/C15H10Cl2N2OS3/c16-12-6-10(14(17)23-12)11-7-22-15(18-11)19-13(20)8-21-9-4-2-1-3-5-9/h1-7H,8H2,(H,18,19,20)
InChIKeyLVRPGPXBFHPIFB-UHFFFAOYSA-N
MW401.37 g/mol
LogP5.91
Rot. Bonds5

About N-[4-(2,5-dichlorothiophen-3-yl)-1,3-thiazol-2-yl]-2-phenylsulfanylacetamide

N-[4-(2,5-dichlorothiophen-3-yl)-1,3-thiazol-2-yl]-2-phenylsulfanylacetamide (PubChem CID 8609952) has the molecular formula C15H10Cl2N2OS3 and a molecular weight of 401.37 g/mol. Its IUPAC name is N-[4-(2,5-dichlorothiophen-3-yl)-1,3-thiazol-2-yl]-2-phenylsulfanylacetamide.

Molecular Properties

Compound NameN-[4-(2,5-dichlorothiophen-3-yl)-1,3-thiazol-2-yl]-2-phenylsulfanylacetamide
PubChem CID8609952
Molecular FormulaC15H10Cl2N2OS3
Molecular Weight401.37 g/mol
Exact Mass399.93
IUPAC NameN-[4-(2,5-dichlorothiophen-3-yl)-1,3-thiazol-2-yl]-2-phenylsulfanylacetamide
SMILESO=C(CSc1ccccc1)Nc1nc(-c2cc(Cl)sc2Cl)cs1
InChIInChI=1S/C15H10Cl2N2OS3/c16-12-6-10(14(17)23-12)11-7-22-15(18-11)19-13(20)8-21-9-4-2-1-3-5-9/h1-7H,8H2,(H,18,19,20)
InChIKeyLVRPGPXBFHPIFB-UHFFFAOYSA-N
XLogP5.91
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500401.37
LogP ≤ 55.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-(2,5-dichlorothiophen-3-yl)-1,3-thiazol-2-yl]-2-(4-methylphenyl)sulfanylacetamide
CID 41151831
N-[4-(2,5-dichlorothiophen-3-yl)-1,3-thiazol-2-yl]-3-(phenylcarbamoylamino)propanamide
CID 55396589
2-(3-chlorophenyl)sulfanyl-N-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]acetamide
CID 5152633
2-(2-chlorophenyl)sulfanyl-N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]acetamide
CID 4830075
2-chloro-N-[4-(2,5-dichlorothiophen-3-yl)-1,3-thiazol-2-yl]benzamide
CID 4146879
2-(4-chlorophenyl)sulfanyl-N-[4-(4-phenylphenyl)-1,3-thiazol-2-yl]acetamide
CID 19203551
N-[4-(2,5-dichlorothiophen-3-yl)-1,3-thiazol-2-yl]pentanamide
CID 4145582
N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-2-[3-(phenylcarbamothioylamino)phenyl]sulfanylacetamide
CID 19315983
N-[4-(3-chloro-4-methoxyphenyl)-1,3-thiazol-2-yl]-2-phenylsulfanylacetamide
CID 16562235
N-[4-(2,5-dichlorothiophen-3-yl)-1,3-thiazol-2-yl]-2-(2-propoxyphenoxy)acetamide
CID 16564275
N-[4-(2,5-dichlorothiophen-3-yl)-1,3-thiazol-2-yl]-1-benzofuran-2-carboxamide
CID 8718070
N-[4-(2,5-dichlorothiophen-3-yl)-1,3-thiazol-2-yl]-3-(2-methyl-4-oxoquinazolin-3-yl)propanamide
CID 37034606

Frequently Asked Questions

What is the IUPAC name of N-[4-(2,5-dichlorothiophen-3-yl)-1,3-thiazol-2-yl]-2-phenylsulfanylacetamide?
The IUPAC name of N-[4-(2,5-dichlorothiophen-3-yl)-1,3-thiazol-2-yl]-2-phenylsulfanylacetamide (CID 8609952) is N-[4-(2,5-dichlorothiophen-3-yl)-1,3-thiazol-2-yl]-2-phenylsulfanylacetamide.
What is the SMILES notation for N-[4-(2,5-dichlorothiophen-3-yl)-1,3-thiazol-2-yl]-2-phenylsulfanylacetamide?
The canonical SMILES for N-[4-(2,5-dichlorothiophen-3-yl)-1,3-thiazol-2-yl]-2-phenylsulfanylacetamide is O=C(CSc1ccccc1)Nc1nc(-c2cc(Cl)sc2Cl)cs1.
What is the InChIKey of N-[4-(2,5-dichlorothiophen-3-yl)-1,3-thiazol-2-yl]-2-phenylsulfanylacetamide?
The InChIKey is LVRPGPXBFHPIFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10Cl2N2OS3/c16-12-6-10(14(17)23-12)11-7-22-15(18-11)19-13(20)8-21-9-4-2-1-3-5-9/h1-7H,8H2,(H,18,19,20).
What are the key properties of N-[4-(2,5-dichlorothiophen-3-yl)-1,3-thiazol-2-yl]-2-phenylsulfanylacetamide?
N-[4-(2,5-dichlorothiophen-3-yl)-1,3-thiazol-2-yl]-2-phenylsulfanylacetamide has a molecular weight of 401.37 g/mol, XLogP of 5.91, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2,5-dichlorothiophen-3-yl)-1,3-thiazol-2-yl]-2-phenylsulfanylacetamide is sourced from PubChem (CID 8609952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).