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

C15H18N2O2S2 — CID 71875396

IUPACN-[3-(2,2-dimethylpropanoyl)thiophen-2-yl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide
SMILESCc1nc(CC(=O)Nc2sccc2C(=O)C(C)(C)C)cs1
InChIInChI=1S/C15H18N2O2S2/c1-9-16-10(8-21-9)7-12(18)17-14-11(5-6-20-14)13(19)15(2,3)4/h5-6,8H,7H2,1-4H3,(H,17,18)
InChIKeyYWKCLHWECOSUSI-UHFFFAOYSA-N
MW322.46 g/mol
LogP3.92
Rot. Bonds4

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

N-[3-(2,2-dimethylpropanoyl)thiophen-2-yl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide (PubChem CID 71875396) has the molecular formula C15H18N2O2S2 and a molecular weight of 322.46 g/mol. Its IUPAC name is N-[3-(2,2-dimethylpropanoyl)thiophen-2-yl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide.

Molecular Properties

Compound NameN-[3-(2,2-dimethylpropanoyl)thiophen-2-yl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide
PubChem CID71875396
Molecular FormulaC15H18N2O2S2
Molecular Weight322.46 g/mol
Exact Mass322.08
IUPAC NameN-[3-(2,2-dimethylpropanoyl)thiophen-2-yl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide
SMILESCc1nc(CC(=O)Nc2sccc2C(=O)C(C)(C)C)cs1
InChIInChI=1S/C15H18N2O2S2/c1-9-16-10(8-21-9)7-12(18)17-14-11(5-6-20-14)13(19)15(2,3)4/h5-6,8H,7H2,1-4H3,(H,17,18)
InChIKeyYWKCLHWECOSUSI-UHFFFAOYSA-N
XLogP3.92
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.46
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[3-(2,2-dimethylpropanoyl)thiophen-2-yl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide with MolForge

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Related Compounds

ethyl 2-[[2-(2-amino-1,3-thiazol-4-yl)acetyl]amino]thiophene-3-carboxylate
CID 62799998
N-(4-aminophenyl)-2-(2-methyl-1,3-thiazol-4-yl)acetamide
CID 110483632
N-(2,6-difluorophenyl)-2-(2-methyl-1,3-thiazol-4-yl)acetamide
CID 110463255
N-(2-ethylphenyl)-2-(2-methyl-1,3-thiazol-4-yl)acetamide
CID 9123420
2-(2-methyl-1,3-thiazol-4-yl)-N-(2-phenylphenyl)acetamide
CID 29454554
2-(2-methyl-1,3-thiazol-4-yl)-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)acetamide
CID 29456306
N-(2-methyl-4-pyridinyl)-2-(2-methyl-1,3-thiazol-4-yl)acetamide
CID 110463240
N-(2-methoxyphenyl)-2-(2-methyl-1,3-thiazol-4-yl)acetamide
CID 29453114
6-[[2-(2-methyl-1,3-thiazol-4-yl)acetyl]amino]pyridine-2-carboxylic acid
CID 63642384
N-methoxy-2-(2-methyl-1,3-thiazol-4-yl)acetamide
CID 60716850
N-[(2-methylphenyl)methyl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide
CID 31251684
N-(2-fluoro-4-methylphenyl)-2-(2-methyl-1,3-thiazol-4-yl)acetamide
CID 35595769

Frequently Asked Questions

What is the IUPAC name of N-[3-(2,2-dimethylpropanoyl)thiophen-2-yl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide?
The IUPAC name of N-[3-(2,2-dimethylpropanoyl)thiophen-2-yl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide (CID 71875396) is N-[3-(2,2-dimethylpropanoyl)thiophen-2-yl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide.
What is the SMILES notation for N-[3-(2,2-dimethylpropanoyl)thiophen-2-yl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide?
The canonical SMILES for N-[3-(2,2-dimethylpropanoyl)thiophen-2-yl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide is Cc1nc(CC(=O)Nc2sccc2C(=O)C(C)(C)C)cs1.
What is the InChIKey of N-[3-(2,2-dimethylpropanoyl)thiophen-2-yl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide?
The InChIKey is YWKCLHWECOSUSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O2S2/c1-9-16-10(8-21-9)7-12(18)17-14-11(5-6-20-14)13(19)15(2,3)4/h5-6,8H,7H2,1-4H3,(H,17,18).
What are the key properties of N-[3-(2,2-dimethylpropanoyl)thiophen-2-yl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide?
N-[3-(2,2-dimethylpropanoyl)thiophen-2-yl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide has a molecular weight of 322.46 g/mol, XLogP of 3.92, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2,2-dimethylpropanoyl)thiophen-2-yl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide is sourced from PubChem (CID 71875396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).