N-[(3-hydroxyoxolan-3-yl)methyl]-2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetamide

C14H16N2O3S2 — CID 103849592

IUPACN-[(3-hydroxyoxolan-3-yl)methyl]-2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetamide
SMILESO=C(Cc1csc(-c2ccsc2)n1)NCC1(O)CCOC1
InChIInChI=1S/C14H16N2O3S2/c17-12(15-8-14(18)2-3-19-9-14)5-11-7-21-13(16-11)10-1-4-20-6-10/h1,4,6-7,18H,2-3,5,8-9H2,(H,15,17)
InChIKeyAAWWFMURPXGKBL-UHFFFAOYSA-N
MW324.43 g/mol
LogP1.68
Rot. Bonds5

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

N-[(3-hydroxyoxolan-3-yl)methyl]-2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetamide (PubChem CID 103849592) has the molecular formula C14H16N2O3S2 and a molecular weight of 324.43 g/mol. Its IUPAC name is N-[(3-hydroxyoxolan-3-yl)methyl]-2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetamide.

Molecular Properties

Compound NameN-[(3-hydroxyoxolan-3-yl)methyl]-2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetamide
PubChem CID103849592
Molecular FormulaC14H16N2O3S2
Molecular Weight324.43 g/mol
Exact Mass324.06
IUPAC NameN-[(3-hydroxyoxolan-3-yl)methyl]-2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetamide
SMILESO=C(Cc1csc(-c2ccsc2)n1)NCC1(O)CCOC1
InChIInChI=1S/C14H16N2O3S2/c17-12(15-8-14(18)2-3-19-9-14)5-11-7-21-13(16-11)10-1-4-20-6-10/h1,4,6-7,18H,2-3,5,8-9H2,(H,15,17)
InChIKeyAAWWFMURPXGKBL-UHFFFAOYSA-N
XLogP1.68
TPSA71.45 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.43
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(3-hydroxyoxolan-3-yl)methyl]-2-thiophen-3-yl-1,3-thiazole-4-carboxamide
CID 103849544
1-[[[2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetyl]amino]methyl]cyclopropane-1-carboxylic acid
CID 115450030
N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]-2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetamide
CID 114751577
N-prop-2-enyl-2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetamide
CID 9399778
N-[3-[(3-hydroxyoxolan-3-yl)methylamino]-3-oxopropyl]thiophene-3-carboxamide
CID 103849579
N-cyclopropyl-2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetamide
CID 17392861
N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]-2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetamide
CID 31446242
N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]-2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetamide
CID 17475827
N-methoxy-2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetamide
CID 51279391
benzyl 2-[[2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetyl]amino]acetate
CID 32982193
2-[2-(furan-3-yl)-1,3-thiazol-4-yl]-N-[(4-hydroxythian-4-yl)methyl]acetamide
CID 111484822
N-(4-hydroxypentyl)-2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetamide
CID 107300543

Frequently Asked Questions

What is the IUPAC name of N-[(3-hydroxyoxolan-3-yl)methyl]-2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetamide?
The IUPAC name of N-[(3-hydroxyoxolan-3-yl)methyl]-2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetamide (CID 103849592) is N-[(3-hydroxyoxolan-3-yl)methyl]-2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetamide.
What is the SMILES notation for N-[(3-hydroxyoxolan-3-yl)methyl]-2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetamide?
The canonical SMILES for N-[(3-hydroxyoxolan-3-yl)methyl]-2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetamide is O=C(Cc1csc(-c2ccsc2)n1)NCC1(O)CCOC1.
What is the InChIKey of N-[(3-hydroxyoxolan-3-yl)methyl]-2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetamide?
The InChIKey is AAWWFMURPXGKBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O3S2/c17-12(15-8-14(18)2-3-19-9-14)5-11-7-21-13(16-11)10-1-4-20-6-10/h1,4,6-7,18H,2-3,5,8-9H2,(H,15,17).
What are the key properties of N-[(3-hydroxyoxolan-3-yl)methyl]-2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetamide?
N-[(3-hydroxyoxolan-3-yl)methyl]-2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetamide has a molecular weight of 324.43 g/mol, XLogP of 1.68, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-hydroxyoxolan-3-yl)methyl]-2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetamide is sourced from PubChem (CID 103849592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).