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

C19H15N3O2S2 — CID 89446906

IUPACN-[2-[2-(hydroxymethyl)-1,3-thiazol-4-yl]thiophen-3-yl]-2-isoquinolin-5-ylacetamide
SMILESO=C(Cc1cccc2cnccc12)Nc1ccsc1-c1csc(CO)n1
InChIInChI=1S/C19H15N3O2S2/c23-10-18-22-16(11-26-18)19-15(5-7-25-19)21-17(24)8-12-2-1-3-13-9-20-6-4-14(12)13/h1-7,9,11,23H,8,10H2,(H,21,24)
InChIKeyDCXBBLGLOSAEGI-UHFFFAOYSA-N
MW381.48 g/mol
LogP4.09
Rot. Bonds5

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

N-[2-[2-(hydroxymethyl)-1,3-thiazol-4-yl]thiophen-3-yl]-2-isoquinolin-5-ylacetamide (PubChem CID 89446906) has the molecular formula C19H15N3O2S2 and a molecular weight of 381.48 g/mol. Its IUPAC name is N-[2-[2-(hydroxymethyl)-1,3-thiazol-4-yl]thiophen-3-yl]-2-isoquinolin-5-ylacetamide.

Molecular Properties

Compound NameN-[2-[2-(hydroxymethyl)-1,3-thiazol-4-yl]thiophen-3-yl]-2-isoquinolin-5-ylacetamide
PubChem CID89446906
Molecular FormulaC19H15N3O2S2
Molecular Weight381.48 g/mol
Exact Mass381.06
IUPAC NameN-[2-[2-(hydroxymethyl)-1,3-thiazol-4-yl]thiophen-3-yl]-2-isoquinolin-5-ylacetamide
SMILESO=C(Cc1cccc2cnccc12)Nc1ccsc1-c1csc(CO)n1
InChIInChI=1S/C19H15N3O2S2/c23-10-18-22-16(11-26-18)19-15(5-7-25-19)21-17(24)8-12-2-1-3-13-9-20-6-4-14(12)13/h1-7,9,11,23H,8,10H2,(H,21,24)
InChIKeyDCXBBLGLOSAEGI-UHFFFAOYSA-N
XLogP4.09
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.48
LogP ≤ 54.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 3-[(2-isoquinolin-5-ylacetyl)amino]thiophene-2-carboxylate
CID 52949817
2-isoquinolin-5-yl-N-(4-pyrazin-2-yl-1,3-thiazol-5-yl)acetamide;2-(4-methoxyphenyl)-N-(2-pyrazin-2-ylthiophen-3-yl)acetamide
CID 134329169
2-isoquinolin-5-yl-N-[5-[4-[5-[(2-isoquinolin-5-ylacetyl)amino]-1,3,4-thiadiazol-2-yl]butyl]-1,3,4-thiadiazol-2-yl]acetamide
CID 91896713
2-naphthalen-1-yl-N-[2-(1,3,4-oxadiazol-2-yl)thiophen-3-yl]acetamide
CID 46869071
N-(2-iodothiophen-3-yl)-2-naphthalen-1-ylacetamide
CID 68754386
2,3-di(isoquinolin-5-yl)-N-[2-(4-methyl-1,3-thiazol-2-yl)thiophen-3-yl]-N'-[2-(1,3-thiazol-4-yl)thiophen-3-yl]butanediamide
CID 91046553
2-isoquinolin-5-ylacetamide
CID 68785768
2-(4-chlorophenyl)-N-isoquinolin-5-ylacetamide
CID 8763151
2-[4-(hydroxymethyl)-1,3-thiazol-2-yl]-N-naphthalen-1-ylacetamide
CID 82155136
N-isoquinolin-5-yl-3,3-dimethylbutanamide
CID 29371824
[4-(2-isoquinolin-5-ylimidazo[1,2-a]pyridin-6-yl)-1,3-thiazol-2-yl]methanol
CID 66623908
N-isoquinolin-5-yl-3-sulfanylpropanamide
CID 107023450

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(hydroxymethyl)-1,3-thiazol-4-yl]thiophen-3-yl]-2-isoquinolin-5-ylacetamide?
The IUPAC name of N-[2-[2-(hydroxymethyl)-1,3-thiazol-4-yl]thiophen-3-yl]-2-isoquinolin-5-ylacetamide (CID 89446906) is N-[2-[2-(hydroxymethyl)-1,3-thiazol-4-yl]thiophen-3-yl]-2-isoquinolin-5-ylacetamide.
What is the SMILES notation for N-[2-[2-(hydroxymethyl)-1,3-thiazol-4-yl]thiophen-3-yl]-2-isoquinolin-5-ylacetamide?
The canonical SMILES for N-[2-[2-(hydroxymethyl)-1,3-thiazol-4-yl]thiophen-3-yl]-2-isoquinolin-5-ylacetamide is O=C(Cc1cccc2cnccc12)Nc1ccsc1-c1csc(CO)n1.
What is the InChIKey of N-[2-[2-(hydroxymethyl)-1,3-thiazol-4-yl]thiophen-3-yl]-2-isoquinolin-5-ylacetamide?
The InChIKey is DCXBBLGLOSAEGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N3O2S2/c23-10-18-22-16(11-26-18)19-15(5-7-25-19)21-17(24)8-12-2-1-3-13-9-20-6-4-14(12)13/h1-7,9,11,23H,8,10H2,(H,21,24).
What are the key properties of N-[2-[2-(hydroxymethyl)-1,3-thiazol-4-yl]thiophen-3-yl]-2-isoquinolin-5-ylacetamide?
N-[2-[2-(hydroxymethyl)-1,3-thiazol-4-yl]thiophen-3-yl]-2-isoquinolin-5-ylacetamide has a molecular weight of 381.48 g/mol, XLogP of 4.09, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(hydroxymethyl)-1,3-thiazol-4-yl]thiophen-3-yl]-2-isoquinolin-5-ylacetamide is sourced from PubChem (CID 89446906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).