N-[[4-(4-propan-2-yl-1,3-thiazol-2-yl)phenyl]methyl]-2-thiophen-2-ylacetamide

C19H20N2OS2 — CID 87050316

IUPACN-[[4-(4-propan-2-yl-1,3-thiazol-2-yl)phenyl]methyl]-2-thiophen-2-ylacetamide
SMILESCC(C)c1csc(-c2ccc(CNC(=O)Cc3cccs3)cc2)n1
InChIInChI=1S/C19H20N2OS2/c1-13(2)17-12-24-19(21-17)15-7-5-14(6-8-15)11-20-18(22)10-16-4-3-9-23-16/h3-9,12-13H,10-11H2,1-2H3,(H,20,22)
InChIKeyRETBWLJQVKCBEQ-UHFFFAOYSA-N
MW356.52 g/mol
LogP4.85
Rot. Bonds6

About N-[[4-(4-propan-2-yl-1,3-thiazol-2-yl)phenyl]methyl]-2-thiophen-2-ylacetamide

N-[[4-(4-propan-2-yl-1,3-thiazol-2-yl)phenyl]methyl]-2-thiophen-2-ylacetamide (PubChem CID 87050316) has the molecular formula C19H20N2OS2 and a molecular weight of 356.52 g/mol. Its IUPAC name is N-[[4-(4-propan-2-yl-1,3-thiazol-2-yl)phenyl]methyl]-2-thiophen-2-ylacetamide.

Molecular Properties

Compound NameN-[[4-(4-propan-2-yl-1,3-thiazol-2-yl)phenyl]methyl]-2-thiophen-2-ylacetamide
PubChem CID87050316
Molecular FormulaC19H20N2OS2
Molecular Weight356.52 g/mol
Exact Mass356.10
IUPAC NameN-[[4-(4-propan-2-yl-1,3-thiazol-2-yl)phenyl]methyl]-2-thiophen-2-ylacetamide
SMILESCC(C)c1csc(-c2ccc(CNC(=O)Cc3cccs3)cc2)n1
InChIInChI=1S/C19H20N2OS2/c1-13(2)17-12-24-19(21-17)15-7-5-14(6-8-15)11-20-18(22)10-16-4-3-9-23-16/h3-9,12-13H,10-11H2,1-2H3,(H,20,22)
InChIKeyRETBWLJQVKCBEQ-UHFFFAOYSA-N
XLogP4.85
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.52
LogP ≤ 54.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[4-(2-aminoethyl)phenyl]methyl]-2-thiophen-2-ylacetamide
CID 62502320
2-thiophen-2-yl-N-(thiophen-2-ylmethyl)acetamide
CID 1245174
N-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-thiophen-2-ylacetamide
CID 110717409
2-(furan-2-yl)-N-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]acetamide
CID 110484643
4-methyl-N-[[4-(4-methyl-1,3-thiazol-2-yl)phenyl]methyl]pentanamide
CID 87050246
N-(naphthalen-1-ylmethyl)-2-thiophen-2-ylacetamide
CID 95960121
N-[[6-(dimethylamino)-3-pyridinyl]methyl]-2-thiophen-2-ylacetamide
CID 47026748
N-[[5-(4-methylphenyl)-1,2-oxazol-3-yl]methyl]-2-thiophen-2-ylacetamide
CID 16866683
2-thiophen-2-yl-N-[2-[(2-thiophen-2-ylacetyl)amino]ethyl]acetamide
CID 25146649
N-[(1-methylpyrazol-4-yl)methyl]-2-thiophen-2-ylacetamide
CID 35524940
N-[(4-propan-2-yloxyphenyl)methyl]-2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetamide
CID 134021506
N-[(3,5-dichlorophenyl)methyl]-2-thiophen-2-ylacetamide
CID 2801025

Frequently Asked Questions

What is the IUPAC name of N-[[4-(4-propan-2-yl-1,3-thiazol-2-yl)phenyl]methyl]-2-thiophen-2-ylacetamide?
The IUPAC name of N-[[4-(4-propan-2-yl-1,3-thiazol-2-yl)phenyl]methyl]-2-thiophen-2-ylacetamide (CID 87050316) is N-[[4-(4-propan-2-yl-1,3-thiazol-2-yl)phenyl]methyl]-2-thiophen-2-ylacetamide.
What is the SMILES notation for N-[[4-(4-propan-2-yl-1,3-thiazol-2-yl)phenyl]methyl]-2-thiophen-2-ylacetamide?
The canonical SMILES for N-[[4-(4-propan-2-yl-1,3-thiazol-2-yl)phenyl]methyl]-2-thiophen-2-ylacetamide is CC(C)c1csc(-c2ccc(CNC(=O)Cc3cccs3)cc2)n1.
What is the InChIKey of N-[[4-(4-propan-2-yl-1,3-thiazol-2-yl)phenyl]methyl]-2-thiophen-2-ylacetamide?
The InChIKey is RETBWLJQVKCBEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2OS2/c1-13(2)17-12-24-19(21-17)15-7-5-14(6-8-15)11-20-18(22)10-16-4-3-9-23-16/h3-9,12-13H,10-11H2,1-2H3,(H,20,22).
What are the key properties of N-[[4-(4-propan-2-yl-1,3-thiazol-2-yl)phenyl]methyl]-2-thiophen-2-ylacetamide?
N-[[4-(4-propan-2-yl-1,3-thiazol-2-yl)phenyl]methyl]-2-thiophen-2-ylacetamide has a molecular weight of 356.52 g/mol, XLogP of 4.85, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(4-propan-2-yl-1,3-thiazol-2-yl)phenyl]methyl]-2-thiophen-2-ylacetamide is sourced from PubChem (CID 87050316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).