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

C12H12Cl2N2OS2 — CID 4145582

IUPACN-[4-(2,5-dichlorothiophen-3-yl)-1,3-thiazol-2-yl]pentanamide
SMILESCCCCC(=O)Nc1nc(-c2cc(Cl)sc2Cl)cs1
InChIInChI=1S/C12H12Cl2N2OS2/c1-2-3-4-10(17)16-12-15-8(6-18-12)7-5-9(13)19-11(7)14/h5-6H,2-4H2,1H3,(H,15,16,17)
InChIKeyYHAJWIAZQDSSTA-UHFFFAOYSA-N
MW335.28 g/mol
LogP5.31
Rot. Bonds5

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

N-[4-(2,5-dichlorothiophen-3-yl)-1,3-thiazol-2-yl]pentanamide (PubChem CID 4145582) has the molecular formula C12H12Cl2N2OS2 and a molecular weight of 335.28 g/mol. Its IUPAC name is N-[4-(2,5-dichlorothiophen-3-yl)-1,3-thiazol-2-yl]pentanamide.

Molecular Properties

Compound NameN-[4-(2,5-dichlorothiophen-3-yl)-1,3-thiazol-2-yl]pentanamide
PubChem CID4145582
Molecular FormulaC12H12Cl2N2OS2
Molecular Weight335.28 g/mol
Exact Mass333.98
IUPAC NameN-[4-(2,5-dichlorothiophen-3-yl)-1,3-thiazol-2-yl]pentanamide
SMILESCCCCC(=O)Nc1nc(-c2cc(Cl)sc2Cl)cs1
InChIInChI=1S/C12H12Cl2N2OS2/c1-2-3-4-10(17)16-12-15-8(6-18-12)7-5-9(13)19-11(7)14/h5-6H,2-4H2,1H3,(H,15,16,17)
InChIKeyYHAJWIAZQDSSTA-UHFFFAOYSA-N
XLogP5.31
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500335.28
LogP ≤ 55.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(2,5-dichlorophenyl)-1,3-thiazol-2-yl]pentanamide
CID 2372983
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]-3-(phenylcarbamoylamino)propanamide
CID 55396589
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]-3-(oxolan-2-yl)propanamide
CID 75402955
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]-2-methylsulfanylpropanamide
CID 43077940
N-[4-(2,5-dichlorothiophen-3-yl)-1,3-thiazol-2-yl]-3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)propanamide
CID 55396462
N-[4-(2,5-dichlorothiophen-3-yl)-1,3-thiazol-2-yl]-3-(5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)propanamide
CID 55511816
N-[4-(2,5-dichlorothiophen-3-yl)-1,3-thiazol-2-yl]-3-(2-methyl-4-oxoquinazolin-3-yl)propanamide
CID 37034606
2-chloro-N-[4-(2,5-dichlorothiophen-3-yl)-1,3-thiazol-2-yl]benzamide
CID 4146879

Frequently Asked Questions

What is the IUPAC name of N-[4-(2,5-dichlorothiophen-3-yl)-1,3-thiazol-2-yl]pentanamide?
The IUPAC name of N-[4-(2,5-dichlorothiophen-3-yl)-1,3-thiazol-2-yl]pentanamide (CID 4145582) is N-[4-(2,5-dichlorothiophen-3-yl)-1,3-thiazol-2-yl]pentanamide.
What is the SMILES notation for N-[4-(2,5-dichlorothiophen-3-yl)-1,3-thiazol-2-yl]pentanamide?
The canonical SMILES for N-[4-(2,5-dichlorothiophen-3-yl)-1,3-thiazol-2-yl]pentanamide is CCCCC(=O)Nc1nc(-c2cc(Cl)sc2Cl)cs1.
What is the InChIKey of N-[4-(2,5-dichlorothiophen-3-yl)-1,3-thiazol-2-yl]pentanamide?
The InChIKey is YHAJWIAZQDSSTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12Cl2N2OS2/c1-2-3-4-10(17)16-12-15-8(6-18-12)7-5-9(13)19-11(7)14/h5-6H,2-4H2,1H3,(H,15,16,17).
What are the key properties of N-[4-(2,5-dichlorothiophen-3-yl)-1,3-thiazol-2-yl]pentanamide?
N-[4-(2,5-dichlorothiophen-3-yl)-1,3-thiazol-2-yl]pentanamide has a molecular weight of 335.28 g/mol, XLogP of 5.31, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2,5-dichlorothiophen-3-yl)-1,3-thiazol-2-yl]pentanamide is sourced from PubChem (CID 4145582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).