2-isoquinolin-5-yl-N-[2-(1,3-thiazol-4-yl)thiophen-3-yl]acetamide

C18H13N3OS2 — CID 46868930

IUPAC2-isoquinolin-5-yl-N-[2-(1,3-thiazol-4-yl)thiophen-3-yl]acetamide
SMILESO=C(Cc1cccc2cnccc12)Nc1ccsc1-c1cscn1
InChIInChI=1S/C18H13N3OS2/c22-17(8-12-2-1-3-13-9-19-6-4-14(12)13)21-15-5-7-24-18(15)16-10-23-11-20-16/h1-7,9-11H,8H2,(H,21,22)
InChIKeyFFPJBQIHDBPVHZ-UHFFFAOYSA-N
MW351.46 g/mol
LogP4.60
Rot. Bonds4

About 2-isoquinolin-5-yl-N-[2-(1,3-thiazol-4-yl)thiophen-3-yl]acetamide

2-isoquinolin-5-yl-N-[2-(1,3-thiazol-4-yl)thiophen-3-yl]acetamide (PubChem CID 46868930) has the molecular formula C18H13N3OS2 and a molecular weight of 351.46 g/mol. Its IUPAC name is 2-isoquinolin-5-yl-N-[2-(1,3-thiazol-4-yl)thiophen-3-yl]acetamide.

Molecular Properties

Compound Name2-isoquinolin-5-yl-N-[2-(1,3-thiazol-4-yl)thiophen-3-yl]acetamide
PubChem CID46868930
Molecular FormulaC18H13N3OS2
Molecular Weight351.46 g/mol
Exact Mass351.05
IUPAC Name2-isoquinolin-5-yl-N-[2-(1,3-thiazol-4-yl)thiophen-3-yl]acetamide
SMILESO=C(Cc1cccc2cnccc12)Nc1ccsc1-c1cscn1
InChIInChI=1S/C18H13N3OS2/c22-17(8-12-2-1-3-13-9-19-6-4-14(12)13)21-15-5-7-24-18(15)16-10-23-11-20-16/h1-7,9-11H,8H2,(H,21,22)
InChIKeyFFPJBQIHDBPVHZ-UHFFFAOYSA-N
XLogP4.60
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.46
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-Phenyl-3-[2-(pyridin-4-yl)-1,3-thiazol-4-yl]-1,2-dihydroquinolin-2-one
CID 10193998
N-(4,4''-bithiazol-5-yl)-2-(isoquinolin-5-yl)acetamide
CID 49839481
2-(Isoquinolin-5-yl)-n-(4-(pyrazin-2-yl)thiazol-5-yl)acetamide
CID 52948593
3-[3-amino-2-butylsulfinyl-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-4-yl]-N,N-dimethylbenzamide
CID 118059068
N-(2-(2-(pyridin-3-yl)thiazol-4-yl)ethyl)-1-naphthamide
CID 7119161
6-(2-pyridin-3-yl-1,3-thiazol-4-yl)-3,4-dihydro-1H-quinolin-2-one;hydrochloride
CID 45264992
Sdccgrch-0000219.P001
CID 136152806
3-(5-methyl-3,4-dihydro-1H-isoquinolin-2-yl)-N-[3-([1,3]thiazolo[4,5-c]pyridin-2-yl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl]propanamide
CID 124120386
ALP-POS-c3a96089-1
CID 156906886
N-(2-pyridin-2-ylethyl)-2-thiophen-3-yl-1-benzothiophene-3-carboxamide
CID 44202235
N-[1-phenyl-1-(4-quinolin-3-yl-1,3-thiazol-2-yl)ethyl]acetamide
CID 49789265
N-[1-phenyl-1-(4-quinolin-8-yl-1,3-thiazol-2-yl)ethyl]acetamide
CID 49792695

Frequently Asked Questions

What is the IUPAC name of 2-isoquinolin-5-yl-N-[2-(1,3-thiazol-4-yl)thiophen-3-yl]acetamide?
The IUPAC name of 2-isoquinolin-5-yl-N-[2-(1,3-thiazol-4-yl)thiophen-3-yl]acetamide (CID 46868930) is 2-isoquinolin-5-yl-N-[2-(1,3-thiazol-4-yl)thiophen-3-yl]acetamide.
What is the SMILES notation for 2-isoquinolin-5-yl-N-[2-(1,3-thiazol-4-yl)thiophen-3-yl]acetamide?
The canonical SMILES for 2-isoquinolin-5-yl-N-[2-(1,3-thiazol-4-yl)thiophen-3-yl]acetamide is O=C(Cc1cccc2cnccc12)Nc1ccsc1-c1cscn1.
What is the InChIKey of 2-isoquinolin-5-yl-N-[2-(1,3-thiazol-4-yl)thiophen-3-yl]acetamide?
The InChIKey is FFPJBQIHDBPVHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13N3OS2/c22-17(8-12-2-1-3-13-9-19-6-4-14(12)13)21-15-5-7-24-18(15)16-10-23-11-20-16/h1-7,9-11H,8H2,(H,21,22).
What are the key properties of 2-isoquinolin-5-yl-N-[2-(1,3-thiazol-4-yl)thiophen-3-yl]acetamide?
2-isoquinolin-5-yl-N-[2-(1,3-thiazol-4-yl)thiophen-3-yl]acetamide has a molecular weight of 351.46 g/mol, XLogP of 4.60, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-isoquinolin-5-yl-N-[2-(1,3-thiazol-4-yl)thiophen-3-yl]acetamide is sourced from PubChem (CID 46868930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).