N-[(3-hydroxyoxolan-3-yl)methyl]-2-thiophen-3-yl-1,3-thiazole-4-carboxamide

C13H14N2O3S2 — CID 103849544

IUPACN-[(3-hydroxyoxolan-3-yl)methyl]-2-thiophen-3-yl-1,3-thiazole-4-carboxamide
SMILESO=C(NCC1(O)CCOC1)c1csc(-c2ccsc2)n1
InChIInChI=1S/C13H14N2O3S2/c16-11(14-7-13(17)2-3-18-8-13)10-6-20-12(15-10)9-1-4-19-5-9/h1,4-6,17H,2-3,7-8H2,(H,14,16)
InChIKeyFJYJODDTEWBLKR-UHFFFAOYSA-N
MW310.40 g/mol
LogP1.75
Rot. Bonds4

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

N-[(3-hydroxyoxolan-3-yl)methyl]-2-thiophen-3-yl-1,3-thiazole-4-carboxamide (PubChem CID 103849544) has the molecular formula C13H14N2O3S2 and a molecular weight of 310.40 g/mol. Its IUPAC name is N-[(3-hydroxyoxolan-3-yl)methyl]-2-thiophen-3-yl-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-[(3-hydroxyoxolan-3-yl)methyl]-2-thiophen-3-yl-1,3-thiazole-4-carboxamide
PubChem CID103849544
Molecular FormulaC13H14N2O3S2
Molecular Weight310.40 g/mol
Exact Mass310.04
IUPAC NameN-[(3-hydroxyoxolan-3-yl)methyl]-2-thiophen-3-yl-1,3-thiazole-4-carboxamide
SMILESO=C(NCC1(O)CCOC1)c1csc(-c2ccsc2)n1
InChIInChI=1S/C13H14N2O3S2/c16-11(14-7-13(17)2-3-18-8-13)10-6-20-12(15-10)9-1-4-19-5-9/h1,4-6,17H,2-3,7-8H2,(H,14,16)
InChIKeyFJYJODDTEWBLKR-UHFFFAOYSA-N
XLogP1.75
TPSA71.45 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.40
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(3-hydroxyoxolan-3-yl)methyl]-2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetamide
CID 103849592
2-(2-aminoethyl)-N-[(3-hydroxyoxolan-3-yl)methyl]-1,3-thiazole-4-carboxamide
CID 114143528
N-ethyl-2-thiophen-3-yl-1,3-thiazole-4-carboxamide
CID 51229416
2-[(2-thiophen-3-yl-1,3-thiazole-4-carbonyl)amino]acetic acid
CID 43354490
N-[1-(hydroxymethyl)cyclopropyl]-2-thiophen-3-yl-1,3-thiazole-4-carboxamide
CID 115764961
5-(furan-2-yl)-N-[(3-hydroxyoxolan-3-yl)methyl]-1,2-oxazole-3-carboxamide
CID 103849044
N-[(4-carbamoyloxan-4-yl)methyl]-2-(4-chlorophenyl)-1,3-thiazole-4-carboxamide
CID 56808469
4-[(2-thiophen-3-yl-1,3-thiazole-4-carbonyl)amino]butanoic acid
CID 43355092
2-hydroxy-3-[(2-thiophen-3-yl-1,3-thiazole-4-carbonyl)amino]propanoic acid
CID 66166847
N-(2-cyclopropyl-2-hydroxyethyl)-2-thiophen-3-yl-1,3-thiazole-4-carboxamide
CID 55170247
2-(furan-3-yl)-N-[(4-hydroxythian-4-yl)methyl]-1,3-thiazole-4-carboxamide
CID 111484969
N-(2-sulfamoylethyl)-2-thiophen-3-yl-1,3-thiazole-4-carboxamide
CID 56787733

Frequently Asked Questions

What is the IUPAC name of N-[(3-hydroxyoxolan-3-yl)methyl]-2-thiophen-3-yl-1,3-thiazole-4-carboxamide?
The IUPAC name of N-[(3-hydroxyoxolan-3-yl)methyl]-2-thiophen-3-yl-1,3-thiazole-4-carboxamide (CID 103849544) is N-[(3-hydroxyoxolan-3-yl)methyl]-2-thiophen-3-yl-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-[(3-hydroxyoxolan-3-yl)methyl]-2-thiophen-3-yl-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-[(3-hydroxyoxolan-3-yl)methyl]-2-thiophen-3-yl-1,3-thiazole-4-carboxamide is O=C(NCC1(O)CCOC1)c1csc(-c2ccsc2)n1.
What is the InChIKey of N-[(3-hydroxyoxolan-3-yl)methyl]-2-thiophen-3-yl-1,3-thiazole-4-carboxamide?
The InChIKey is FJYJODDTEWBLKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O3S2/c16-11(14-7-13(17)2-3-18-8-13)10-6-20-12(15-10)9-1-4-19-5-9/h1,4-6,17H,2-3,7-8H2,(H,14,16).
What are the key properties of N-[(3-hydroxyoxolan-3-yl)methyl]-2-thiophen-3-yl-1,3-thiazole-4-carboxamide?
N-[(3-hydroxyoxolan-3-yl)methyl]-2-thiophen-3-yl-1,3-thiazole-4-carboxamide has a molecular weight of 310.40 g/mol, XLogP of 1.75, 4 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-thiophen-3-yl-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 103849544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).