2-(2-amino-1,3-thiazol-4-yl)-N-(1-benzothiophen-5-yl)acetamide

C13H11N3OS2 — CID 62798357

IUPAC2-(2-amino-1,3-thiazol-4-yl)-N-(1-benzothiophen-5-yl)acetamide
SMILESNc1nc(CC(=O)Nc2ccc3sccc3c2)cs1
InChIInChI=1S/C13H11N3OS2/c14-13-16-10(7-19-13)6-12(17)15-9-1-2-11-8(5-9)3-4-18-11/h1-5,7H,6H2,(H2,14,16)(H,15,17)
InChIKeyDMHMYYADPCZUIM-UHFFFAOYSA-N
MW289.39 g/mol
LogP3.12
Rot. Bonds3

About 2-(2-amino-1,3-thiazol-4-yl)-N-(1-benzothiophen-5-yl)acetamide

2-(2-amino-1,3-thiazol-4-yl)-N-(1-benzothiophen-5-yl)acetamide (PubChem CID 62798357) has the molecular formula C13H11N3OS2 and a molecular weight of 289.39 g/mol. Its IUPAC name is 2-(2-amino-1,3-thiazol-4-yl)-N-(1-benzothiophen-5-yl)acetamide.

Molecular Properties

Compound Name2-(2-amino-1,3-thiazol-4-yl)-N-(1-benzothiophen-5-yl)acetamide
PubChem CID62798357
Molecular FormulaC13H11N3OS2
Molecular Weight289.39 g/mol
Exact Mass289.03
IUPAC Name2-(2-amino-1,3-thiazol-4-yl)-N-(1-benzothiophen-5-yl)acetamide
SMILESNc1nc(CC(=O)Nc2ccc3sccc3c2)cs1
InChIInChI=1S/C13H11N3OS2/c14-13-16-10(7-19-13)6-12(17)15-9-1-2-11-8(5-9)3-4-18-11/h1-5,7H,6H2,(H2,14,16)(H,15,17)
InChIKeyDMHMYYADPCZUIM-UHFFFAOYSA-N
XLogP3.12
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.39
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2-amino-1,3-thiazol-4-yl)-N-thiophen-3-ylacetamide
CID 66351961
2-(2-amino-1,3-thiazol-4-yl)-N-pyridin-4-ylacetamide
CID 62795383
2-(2-amino-1,3-thiazol-4-yl)-N-(4-iodophenyl)acetamide
CID 12686359
2-(2-amino-1,3-thiazol-4-yl)-N-(3-chlorophenyl)acetamide
CID 55120912
4-[[2-(2-amino-1,3-thiazol-4-yl)acetyl]amino]-2-chlorobenzoic acid
CID 62800000
2-[4-[[2-(2-amino-1,3-thiazol-4-yl)acetyl]amino]phenyl]acetamide
CID 62798897
3-[[2-(2-amino-1,3-thiazol-4-yl)acetyl]amino]benzoic acid
CID 55120222
2-(2-amino-1,3-thiazol-4-yl)-N-(1H-indazol-6-yl)acetamide
CID 62800301
2-(2-amino-1,3-thiazol-4-yl)-N-(3,5-dichloro-4-fluorophenyl)acetamide
CID 107574425
N-(1-benzothiophen-5-yl)-2-naphthalen-1-ylacetamide
CID 23791200
2-(2-amino-1,3-thiazol-4-yl)-N-[4-(trifluoromethylsulfanyl)phenyl]acetamide
CID 62797826
2-(2-amino-1,3-thiazol-4-yl)-N-(3-ethoxyphenyl)acetamide
CID 62800309

Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-1,3-thiazol-4-yl)-N-(1-benzothiophen-5-yl)acetamide?
The IUPAC name of 2-(2-amino-1,3-thiazol-4-yl)-N-(1-benzothiophen-5-yl)acetamide (CID 62798357) is 2-(2-amino-1,3-thiazol-4-yl)-N-(1-benzothiophen-5-yl)acetamide.
What is the SMILES notation for 2-(2-amino-1,3-thiazol-4-yl)-N-(1-benzothiophen-5-yl)acetamide?
The canonical SMILES for 2-(2-amino-1,3-thiazol-4-yl)-N-(1-benzothiophen-5-yl)acetamide is Nc1nc(CC(=O)Nc2ccc3sccc3c2)cs1.
What is the InChIKey of 2-(2-amino-1,3-thiazol-4-yl)-N-(1-benzothiophen-5-yl)acetamide?
The InChIKey is DMHMYYADPCZUIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N3OS2/c14-13-16-10(7-19-13)6-12(17)15-9-1-2-11-8(5-9)3-4-18-11/h1-5,7H,6H2,(H2,14,16)(H,15,17).
What are the key properties of 2-(2-amino-1,3-thiazol-4-yl)-N-(1-benzothiophen-5-yl)acetamide?
2-(2-amino-1,3-thiazol-4-yl)-N-(1-benzothiophen-5-yl)acetamide has a molecular weight of 289.39 g/mol, XLogP of 3.12, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-amino-1,3-thiazol-4-yl)-N-(1-benzothiophen-5-yl)acetamide is sourced from PubChem (CID 62798357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).