N-[[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]methyl]-2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetamide

C18H15N3OS4 — CID 17468804

IUPACN-[[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]methyl]-2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetamide
SMILESCc1nc(-c2ccc(CNC(=O)Cc3csc(-c4ccsc4)n3)s2)cs1
InChIInChI=1S/C18H15N3OS4/c1-11-20-15(10-24-11)16-3-2-14(26-16)7-19-17(22)6-13-9-25-18(21-13)12-4-5-23-8-12/h2-5,8-10H,6-7H2,1H3,(H,19,22)
InChIKeyDKLKCUFHBMGGCW-UHFFFAOYSA-N
MW417.61 g/mol
LogP5.22
Rot. Bonds6

About N-[[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]methyl]-2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetamide

N-[[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]methyl]-2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetamide (PubChem CID 17468804) has the molecular formula C18H15N3OS4 and a molecular weight of 417.61 g/mol. Its IUPAC name is N-[[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]methyl]-2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetamide.

Molecular Properties

Compound NameN-[[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]methyl]-2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetamide
PubChem CID17468804
Molecular FormulaC18H15N3OS4
Molecular Weight417.61 g/mol
Exact Mass417.01
IUPAC NameN-[[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]methyl]-2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetamide
SMILESCc1nc(-c2ccc(CNC(=O)Cc3csc(-c4ccsc4)n3)s2)cs1
InChIInChI=1S/C18H15N3OS4/c1-11-20-15(10-24-11)16-3-2-14(26-16)7-19-17(22)6-13-9-25-18(21-13)12-4-5-23-8-12/h2-5,8-10H,6-7H2,1H3,(H,19,22)
InChIKeyDKLKCUFHBMGGCW-UHFFFAOYSA-N
XLogP5.22
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500417.61
LogP ≤ 55.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-[[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]methyl]-2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetamide 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-[5-(acetamidomethyl)thiophen-2-yl]-5-methyl-1,3-thiazol-2-yl]-2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetamide
CID 37389525
N-[[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]methyl]-2-thiophen-2-ylacetamide
CID 8940367
N-[(2-methoxyphenyl)methyl]-2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetamide
CID 9404781
N-(3-hydroxypentyl)-2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetamide
CID 115703692
4-methyl-N-[2-[[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]methylamino]-2-oxoethyl]benzamide
CID 24550813
N-prop-2-enyl-2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetamide
CID 9399778
N-methoxy-2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetamide
CID 51279391
N-[2-(2,6-dimethylanilino)-2-oxoethyl]-2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetamide
CID 27760643
N-[2-(2-methylphenyl)ethyl]-2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetamide
CID 18114604
N-[[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]methyl]-2-(2-oxopyrrolidin-1-yl)acetamide
CID 8941199
N-(1-hydroxy-2-methylbutan-2-yl)-2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetamide
CID 64557574
N-(5-ethyl-1H-pyrazol-3-yl)-2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetamide
CID 48507454

Frequently Asked Questions

What is the IUPAC name of N-[[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]methyl]-2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetamide?
The IUPAC name of N-[[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]methyl]-2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetamide (CID 17468804) is N-[[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]methyl]-2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetamide.
What is the SMILES notation for N-[[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]methyl]-2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetamide?
The canonical SMILES for N-[[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]methyl]-2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetamide is Cc1nc(-c2ccc(CNC(=O)Cc3csc(-c4ccsc4)n3)s2)cs1.
What is the InChIKey of N-[[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]methyl]-2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetamide?
The InChIKey is DKLKCUFHBMGGCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N3OS4/c1-11-20-15(10-24-11)16-3-2-14(26-16)7-19-17(22)6-13-9-25-18(21-13)12-4-5-23-8-12/h2-5,8-10H,6-7H2,1H3,(H,19,22).
What are the key properties of N-[[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]methyl]-2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetamide?
N-[[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]methyl]-2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetamide has a molecular weight of 417.61 g/mol, XLogP of 5.22, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]methyl]-2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetamide is sourced from PubChem (CID 17468804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).