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

C11H10Cl2N2OS3 — CID 43077940

IUPACN-[4-(2,5-dichlorothiophen-3-yl)-1,3-thiazol-2-yl]-2-methylsulfanylpropanamide
SMILESCSC(C)C(=O)Nc1nc(-c2cc(Cl)sc2Cl)cs1
InChIInChI=1S/C11H10Cl2N2OS3/c1-5(17-2)10(16)15-11-14-7(4-18-11)6-3-8(12)19-9(6)13/h3-5H,1-2H3,(H,14,15,16)
InChIKeyNCCYWWQADOSTLD-UHFFFAOYSA-N
MW353.32 g/mol
LogP4.87
Rot. Bonds4

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

N-[4-(2,5-dichlorothiophen-3-yl)-1,3-thiazol-2-yl]-2-methylsulfanylpropanamide (PubChem CID 43077940) has the molecular formula C11H10Cl2N2OS3 and a molecular weight of 353.32 g/mol. Its IUPAC name is N-[4-(2,5-dichlorothiophen-3-yl)-1,3-thiazol-2-yl]-2-methylsulfanylpropanamide.

Molecular Properties

Compound NameN-[4-(2,5-dichlorothiophen-3-yl)-1,3-thiazol-2-yl]-2-methylsulfanylpropanamide
PubChem CID43077940
Molecular FormulaC11H10Cl2N2OS3
Molecular Weight353.32 g/mol
Exact Mass351.93
IUPAC NameN-[4-(2,5-dichlorothiophen-3-yl)-1,3-thiazol-2-yl]-2-methylsulfanylpropanamide
SMILESCSC(C)C(=O)Nc1nc(-c2cc(Cl)sc2Cl)cs1
InChIInChI=1S/C11H10Cl2N2OS3/c1-5(17-2)10(16)15-11-14-7(4-18-11)6-3-8(12)19-9(6)13/h3-5H,1-2H3,(H,14,15,16)
InChIKeyNCCYWWQADOSTLD-UHFFFAOYSA-N
XLogP4.87
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.32
LogP ≤ 54.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[4-(2,5-dichlorothiophen-3-yl)-1,3-thiazol-2-yl]-2-methylsulfanylpropanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[4-(2,5-dichlorothiophen-3-yl)-1,3-thiazol-2-yl]pentanamide
CID 4145582
N-[4-(2,5-dichlorothiophen-3-yl)-1,3-thiazol-2-yl]-4-(methylsulfanylmethyl)benzamide
CID 18282187
2-chloro-N-[4-(2,5-dichlorothiophen-3-yl)-1,3-thiazol-2-yl]benzamide
CID 4146879
N-[4-(2,5-dichlorothiophen-3-yl)-1,3-thiazol-2-yl]-5-methylpyrazine-2-carboxamide
CID 17456352
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]-2-phenylsulfanylacetamide
CID 8609952
N-[4-(2,5-dichlorothiophen-3-yl)-1,3-thiazol-2-yl]-3-methoxybenzamide
CID 4055299
5-bromo-N-[4-(2,5-dichlorothiophen-3-yl)-1,3-thiazol-2-yl]furan-2-carboxamide
CID 27831965
N-[4-(2,5-dichlorothiophen-3-yl)-1,3-thiazol-2-yl]-2,5-dimethoxybenzamide
CID 16848711
N-[4-(2,5-dichlorothiophen-3-yl)-1,3-thiazol-2-yl]-2-(4-ethylsulfonylphenyl)acetamide
CID 18587027
N-[4-(2,5-dichlorothiophen-3-yl)-1,3-thiazol-2-yl]-1-benzofuran-2-carboxamide
CID 8718070
(2R)-N-[4-(2,5-dichlorothiophen-3-yl)-1,3-thiazol-2-yl]-1-methylsulfonylpyrrolidine-2-carboxamide
CID 27376198

Frequently Asked Questions

What is the IUPAC name of N-[4-(2,5-dichlorothiophen-3-yl)-1,3-thiazol-2-yl]-2-methylsulfanylpropanamide?
The IUPAC name of N-[4-(2,5-dichlorothiophen-3-yl)-1,3-thiazol-2-yl]-2-methylsulfanylpropanamide (CID 43077940) is N-[4-(2,5-dichlorothiophen-3-yl)-1,3-thiazol-2-yl]-2-methylsulfanylpropanamide.
What is the SMILES notation for N-[4-(2,5-dichlorothiophen-3-yl)-1,3-thiazol-2-yl]-2-methylsulfanylpropanamide?
The canonical SMILES for N-[4-(2,5-dichlorothiophen-3-yl)-1,3-thiazol-2-yl]-2-methylsulfanylpropanamide is CSC(C)C(=O)Nc1nc(-c2cc(Cl)sc2Cl)cs1.
What is the InChIKey of N-[4-(2,5-dichlorothiophen-3-yl)-1,3-thiazol-2-yl]-2-methylsulfanylpropanamide?
The InChIKey is NCCYWWQADOSTLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10Cl2N2OS3/c1-5(17-2)10(16)15-11-14-7(4-18-11)6-3-8(12)19-9(6)13/h3-5H,1-2H3,(H,14,15,16).
What are the key properties of N-[4-(2,5-dichlorothiophen-3-yl)-1,3-thiazol-2-yl]-2-methylsulfanylpropanamide?
N-[4-(2,5-dichlorothiophen-3-yl)-1,3-thiazol-2-yl]-2-methylsulfanylpropanamide has a molecular weight of 353.32 g/mol, XLogP of 4.87, 4 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-methylsulfanylpropanamide is sourced from PubChem (CID 43077940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).