N-(4-tert-butyl-1,3-thiazol-2-yl)-2-(7-methyl-1-benzothiophen-3-yl)acetamide

C18H20N2OS2 — CID 166633694

IUPACN-(4-tert-butyl-1,3-thiazol-2-yl)-2-(7-methyl-1-benzothiophen-3-yl)acetamide
SMILESCc1cccc2c(CC(=O)Nc3nc(C(C)(C)C)cs3)csc12
InChIInChI=1S/C18H20N2OS2/c1-11-6-5-7-13-12(9-22-16(11)13)8-15(21)20-17-19-14(10-23-17)18(2,3)4/h5-7,9-10H,8H2,1-4H3,(H,19,20,21)
InChIKeyXEAAWRCCZWXESW-UHFFFAOYSA-N
MW344.51 g/mol
LogP5.14
Rot. Bonds3

About N-(4-tert-butyl-1,3-thiazol-2-yl)-2-(7-methyl-1-benzothiophen-3-yl)acetamide

N-(4-tert-butyl-1,3-thiazol-2-yl)-2-(7-methyl-1-benzothiophen-3-yl)acetamide (PubChem CID 166633694) has the molecular formula C18H20N2OS2 and a molecular weight of 344.51 g/mol. Its IUPAC name is N-(4-tert-butyl-1,3-thiazol-2-yl)-2-(7-methyl-1-benzothiophen-3-yl)acetamide.

Molecular Properties

Compound NameN-(4-tert-butyl-1,3-thiazol-2-yl)-2-(7-methyl-1-benzothiophen-3-yl)acetamide
PubChem CID166633694
Molecular FormulaC18H20N2OS2
Molecular Weight344.51 g/mol
Exact Mass344.10
IUPAC NameN-(4-tert-butyl-1,3-thiazol-2-yl)-2-(7-methyl-1-benzothiophen-3-yl)acetamide
SMILESCc1cccc2c(CC(=O)Nc3nc(C(C)(C)C)cs3)csc12
InChIInChI=1S/C18H20N2OS2/c1-11-6-5-7-13-12(9-22-16(11)13)8-15(21)20-17-19-14(10-23-17)18(2,3)4/h5-7,9-10H,8H2,1-4H3,(H,19,20,21)
InChIKeyXEAAWRCCZWXESW-UHFFFAOYSA-N
XLogP5.14
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500344.51
LogP ≤ 55.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(1-benzothiophen-3-yl)-N-(4-tert-butyl-1,3-thiazol-2-yl)acetamide
CID 142538886
N-(4-tert-butyl-1,3-thiazol-2-yl)-2-(1-methylindol-3-yl)acetamide
CID 166629500
N-(4-tert-butyl-1,3-thiazol-2-yl)-2-[3-(difluoromethoxy)phenyl]acetamide
CID 86897326
4-[(4-tert-butyl-1,3-thiazol-2-yl)amino]-4-oxobutanoic acid
CID 6465782
N-(4-tert-butyl-1,3-thiazol-2-yl)-3-chloropropanamide
CID 60650220
N-(4-tert-butyl-1,3-thiazol-2-yl)-2-(4-nitrophenyl)acetamide
CID 42995912
N-(4-tert-butyl-1,3-thiazol-2-yl)-2-(pyridin-4-ylmethylamino)acetamide
CID 50965898
N-(4-tert-butyl-1,3-thiazol-2-yl)-2-[(4-oxo-3H-phthalazin-1-yl)methylamino]acetamide
CID 50954634
N-(4-tert-butyl-1,3-thiazol-2-yl)-2-(4-oxo-1,2,3-benzotriazin-3-yl)acetamide
CID 24509256
N-(4-tert-butyl-1,3-thiazol-2-yl)-2-(prop-2-ynylamino)acetamide
CID 79287156
N-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-2-naphthalen-1-ylacetamide
CID 51185664
N-(4-tert-butyl-1,3-thiazol-2-yl)-4-phenylbutanamide
CID 1223668

Frequently Asked Questions

What is the IUPAC name of N-(4-tert-butyl-1,3-thiazol-2-yl)-2-(7-methyl-1-benzothiophen-3-yl)acetamide?
The IUPAC name of N-(4-tert-butyl-1,3-thiazol-2-yl)-2-(7-methyl-1-benzothiophen-3-yl)acetamide (CID 166633694) is N-(4-tert-butyl-1,3-thiazol-2-yl)-2-(7-methyl-1-benzothiophen-3-yl)acetamide.
What is the SMILES notation for N-(4-tert-butyl-1,3-thiazol-2-yl)-2-(7-methyl-1-benzothiophen-3-yl)acetamide?
The canonical SMILES for N-(4-tert-butyl-1,3-thiazol-2-yl)-2-(7-methyl-1-benzothiophen-3-yl)acetamide is Cc1cccc2c(CC(=O)Nc3nc(C(C)(C)C)cs3)csc12.
What is the InChIKey of N-(4-tert-butyl-1,3-thiazol-2-yl)-2-(7-methyl-1-benzothiophen-3-yl)acetamide?
The InChIKey is XEAAWRCCZWXESW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2OS2/c1-11-6-5-7-13-12(9-22-16(11)13)8-15(21)20-17-19-14(10-23-17)18(2,3)4/h5-7,9-10H,8H2,1-4H3,(H,19,20,21).
What are the key properties of N-(4-tert-butyl-1,3-thiazol-2-yl)-2-(7-methyl-1-benzothiophen-3-yl)acetamide?
N-(4-tert-butyl-1,3-thiazol-2-yl)-2-(7-methyl-1-benzothiophen-3-yl)acetamide has a molecular weight of 344.51 g/mol, XLogP of 5.14, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-tert-butyl-1,3-thiazol-2-yl)-2-(7-methyl-1-benzothiophen-3-yl)acetamide is sourced from PubChem (CID 166633694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).