2-(3-methyl-1-benzothiophen-2-yl)-N-(5-propan-2-yl-1,3-thiazol-2-yl)acetamide

C17H18N2OS2 — CID 22170608

IUPAC2-(3-methyl-1-benzothiophen-2-yl)-N-(5-propan-2-yl-1,3-thiazol-2-yl)acetamide
SMILESCc1c(CC(=O)Nc2ncc(C(C)C)s2)sc2ccccc12
InChIInChI=1S/C17H18N2OS2/c1-10(2)15-9-18-17(22-15)19-16(20)8-14-11(3)12-6-4-5-7-13(12)21-14/h4-7,9-10H,8H2,1-3H3,(H,18,19,20)
InChIKeyAVVUTBUQFPKNGI-UHFFFAOYSA-N
MW330.48 g/mol
LogP4.97
Rot. Bonds4

About 2-(3-methyl-1-benzothiophen-2-yl)-N-(5-propan-2-yl-1,3-thiazol-2-yl)acetamide

2-(3-methyl-1-benzothiophen-2-yl)-N-(5-propan-2-yl-1,3-thiazol-2-yl)acetamide (PubChem CID 22170608) has the molecular formula C17H18N2OS2 and a molecular weight of 330.48 g/mol. Its IUPAC name is 2-(3-methyl-1-benzothiophen-2-yl)-N-(5-propan-2-yl-1,3-thiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-(3-methyl-1-benzothiophen-2-yl)-N-(5-propan-2-yl-1,3-thiazol-2-yl)acetamide
PubChem CID22170608
Molecular FormulaC17H18N2OS2
Molecular Weight330.48 g/mol
Exact Mass330.09
IUPAC Name2-(3-methyl-1-benzothiophen-2-yl)-N-(5-propan-2-yl-1,3-thiazol-2-yl)acetamide
SMILESCc1c(CC(=O)Nc2ncc(C(C)C)s2)sc2ccccc12
InChIInChI=1S/C17H18N2OS2/c1-10(2)15-9-18-17(22-15)19-16(20)8-14-11(3)12-6-4-5-7-13(12)21-14/h4-7,9-10H,8H2,1-3H3,(H,18,19,20)
InChIKeyAVVUTBUQFPKNGI-UHFFFAOYSA-N
XLogP4.97
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.48
LogP ≤ 54.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(5-propan-2-yl-1,3-thiazol-2-yl)-2-(4-pyridin-2-ylphenyl)acetamide
CID 172559282
2-(2-chloro-6-fluorophenyl)-N-(5-propan-2-yl-1,3-thiazol-2-yl)acetamide
CID 22170794
2-[4-[(2-aminoacetyl)amino]phenyl]-N-(5-propan-2-yl-1,3-thiazol-2-yl)acetamide
CID 10131664
N-(5-propan-2-yl-1,3-thiazol-2-yl)-2-[3-(trifluoromethyl)phenyl]acetamide
CID 22170729
N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-(3-methyl-1-benzothiophen-2-yl)acetamide
CID 22176888
2-(5-chloro-1-benzothiophen-3-yl)-N-(5-propan-2-yl-1,3-thiazol-2-yl)acetamide
CID 22170601
methyl 2-(3-methyl-1-benzothiophen-2-yl)acetate
CID 70535480
N-(5-propan-2-yl-1,3-thiazol-2-yl)-2-[4-[(2-pyridin-3-ylacetyl)amino]phenyl]acetamide
CID 11383851
5-oxo-5-[(5-propan-2-yl-1,3-thiazol-2-yl)amino]pentanoic acid
CID 87954674
5-methyl-N-[4-[2-oxo-2-[(5-propan-2-yl-1,3-thiazol-2-yl)amino]ethyl]phenyl]pyrazine-2-carboxamide
CID 11269455
1-(4-methylphenyl)-3-(5-propan-2-yl-1,3-thiazol-2-yl)urea
CID 22559570
methyl 2-[(5-propan-2-yl-1,3-thiazol-2-yl)carbamoyl]benzoate
CID 22170596

Frequently Asked Questions

What is the IUPAC name of 2-(3-methyl-1-benzothiophen-2-yl)-N-(5-propan-2-yl-1,3-thiazol-2-yl)acetamide?
The IUPAC name of 2-(3-methyl-1-benzothiophen-2-yl)-N-(5-propan-2-yl-1,3-thiazol-2-yl)acetamide (CID 22170608) is 2-(3-methyl-1-benzothiophen-2-yl)-N-(5-propan-2-yl-1,3-thiazol-2-yl)acetamide.
What is the SMILES notation for 2-(3-methyl-1-benzothiophen-2-yl)-N-(5-propan-2-yl-1,3-thiazol-2-yl)acetamide?
The canonical SMILES for 2-(3-methyl-1-benzothiophen-2-yl)-N-(5-propan-2-yl-1,3-thiazol-2-yl)acetamide is Cc1c(CC(=O)Nc2ncc(C(C)C)s2)sc2ccccc12.
What is the InChIKey of 2-(3-methyl-1-benzothiophen-2-yl)-N-(5-propan-2-yl-1,3-thiazol-2-yl)acetamide?
The InChIKey is AVVUTBUQFPKNGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2OS2/c1-10(2)15-9-18-17(22-15)19-16(20)8-14-11(3)12-6-4-5-7-13(12)21-14/h4-7,9-10H,8H2,1-3H3,(H,18,19,20).
What are the key properties of 2-(3-methyl-1-benzothiophen-2-yl)-N-(5-propan-2-yl-1,3-thiazol-2-yl)acetamide?
2-(3-methyl-1-benzothiophen-2-yl)-N-(5-propan-2-yl-1,3-thiazol-2-yl)acetamide has a molecular weight of 330.48 g/mol, XLogP of 4.97, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methyl-1-benzothiophen-2-yl)-N-(5-propan-2-yl-1,3-thiazol-2-yl)acetamide is sourced from PubChem (CID 22170608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).