N-[4-(3-chloro-4-methoxyphenyl)-1,3-thiazol-2-yl]-4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-4-oxobutanamide

C21H20ClN3O3S2 — CID 55874879

IUPACN-[4-(3-chloro-4-methoxyphenyl)-1,3-thiazol-2-yl]-4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-4-oxobutanamide
SMILESCOc1ccc(-c2csc(NC(=O)CCC(=O)N3CCc4sccc4C3)n2)cc1Cl
InChIInChI=1S/C21H20ClN3O3S2/c1-28-17-3-2-13(10-15(17)22)16-12-30-21(23-16)24-19(26)4-5-20(27)25-8-6-18-14(11-25)7-9-29-18/h2-3,7,9-10,12H,4-6,8,11H2,1H3,(H,23,24,26)
InChIKeyIGYYGGFEMOZSJC-UHFFFAOYSA-N
MW462.00 g/mol
LogP4.84
Rot. Bonds6

About N-[4-(3-chloro-4-methoxyphenyl)-1,3-thiazol-2-yl]-4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-4-oxobutanamide

N-[4-(3-chloro-4-methoxyphenyl)-1,3-thiazol-2-yl]-4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-4-oxobutanamide (PubChem CID 55874879) has the molecular formula C21H20ClN3O3S2 and a molecular weight of 462.00 g/mol. Its IUPAC name is N-[4-(3-chloro-4-methoxyphenyl)-1,3-thiazol-2-yl]-4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-4-oxobutanamide.

Molecular Properties

Compound NameN-[4-(3-chloro-4-methoxyphenyl)-1,3-thiazol-2-yl]-4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-4-oxobutanamide
PubChem CID55874879
Molecular FormulaC21H20ClN3O3S2
Molecular Weight462.00 g/mol
Exact Mass461.06
IUPAC NameN-[4-(3-chloro-4-methoxyphenyl)-1,3-thiazol-2-yl]-4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-4-oxobutanamide
SMILESCOc1ccc(-c2csc(NC(=O)CCC(=O)N3CCc4sccc4C3)n2)cc1Cl
InChIInChI=1S/C21H20ClN3O3S2/c1-28-17-3-2-13(10-15(17)22)16-12-30-21(23-16)24-19(26)4-5-20(27)25-8-6-18-14(11-25)7-9-29-18/h2-3,7,9-10,12H,4-6,8,11H2,1H3,(H,23,24,26)
InChIKeyIGYYGGFEMOZSJC-UHFFFAOYSA-N
XLogP4.84
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.00
LogP ≤ 54.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[4-(3-chloro-4-methoxyphenyl)-1,3-thiazol-2-yl]-4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-4-oxobutanamide with MolForge

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Related Compounds

N-[4-(3-chloro-4-methoxyphenyl)-1,3-thiazol-2-yl]-2-(4-chlorophenyl)acetamide
CID 16562173
N-[4-(3-chloro-4-methoxyphenyl)-1,3-thiazol-2-yl]-4-(4-methylphenoxy)butanamide
CID 16562191
N-[3-[[4-(3-chloro-4-methoxyphenyl)-1,3-thiazol-2-yl]amino]-3-oxopropyl]-2-methylcyclopropane-1-carboxamide
CID 55668604
N-[4-(3-chloro-4-methoxyphenyl)-1,3-thiazol-2-yl]-2-phenylsulfanylacetamide
CID 16562235
N-[4-(3-chloro-4-methoxyphenyl)-1,3-thiazol-2-yl]-2H-benzotriazole-5-carboxamide
CID 41221106
2-chloro-N-[4-(3-chloro-4-methoxyphenyl)-1,3-thiazol-2-yl]pyridine-4-carboxamide
CID 32696321
4-chloro-N-[4-(3-chloro-4-methoxyphenyl)-1,3-thiazol-2-yl]pyridine-2-carboxamide
CID 28550985
3-chloro-N-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-4-methoxybenzamide
CID 6491053
4-(2,4-dichlorophenoxy)-N-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]butanamide
CID 19183987
4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-N-[3-(4-ethylphenyl)-1,2-oxazol-5-yl]-4-oxobutanamide
CID 56544988
N-[4-(3-chloro-4-methoxyphenyl)-1,3-thiazol-2-yl]-2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]acetamide
CID 33172797
N-[4-(3-chloro-4-methoxyphenyl)-1,3-thiazol-2-yl]-3,5-dimethoxybenzamide
CID 7603429

Frequently Asked Questions

What is the IUPAC name of N-[4-(3-chloro-4-methoxyphenyl)-1,3-thiazol-2-yl]-4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-4-oxobutanamide?
The IUPAC name of N-[4-(3-chloro-4-methoxyphenyl)-1,3-thiazol-2-yl]-4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-4-oxobutanamide (CID 55874879) is N-[4-(3-chloro-4-methoxyphenyl)-1,3-thiazol-2-yl]-4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-4-oxobutanamide.
What is the SMILES notation for N-[4-(3-chloro-4-methoxyphenyl)-1,3-thiazol-2-yl]-4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-4-oxobutanamide?
The canonical SMILES for N-[4-(3-chloro-4-methoxyphenyl)-1,3-thiazol-2-yl]-4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-4-oxobutanamide is COc1ccc(-c2csc(NC(=O)CCC(=O)N3CCc4sccc4C3)n2)cc1Cl.
What is the InChIKey of N-[4-(3-chloro-4-methoxyphenyl)-1,3-thiazol-2-yl]-4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-4-oxobutanamide?
The InChIKey is IGYYGGFEMOZSJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20ClN3O3S2/c1-28-17-3-2-13(10-15(17)22)16-12-30-21(23-16)24-19(26)4-5-20(27)25-8-6-18-14(11-25)7-9-29-18/h2-3,7,9-10,12H,4-6,8,11H2,1H3,(H,23,24,26).
What are the key properties of N-[4-(3-chloro-4-methoxyphenyl)-1,3-thiazol-2-yl]-4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-4-oxobutanamide?
N-[4-(3-chloro-4-methoxyphenyl)-1,3-thiazol-2-yl]-4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-4-oxobutanamide has a molecular weight of 462.00 g/mol, XLogP of 4.84, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3-chloro-4-methoxyphenyl)-1,3-thiazol-2-yl]-4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-4-oxobutanamide is sourced from PubChem (CID 55874879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).