N-(2-hydroxyethyl)-2-sulfanyl-3-(2-thiophen-2-yl-1,3-thiazol-4-yl)propanamide

C12H14N2O2S3 — CID 11099066

IUPACN-(2-hydroxyethyl)-2-sulfanyl-3-(2-thiophen-2-yl-1,3-thiazol-4-yl)propanamide
SMILESO=C(NCCO)C(S)Cc1csc(-c2cccs2)n1
InChIInChI=1S/C12H14N2O2S3/c15-4-3-13-11(16)9(17)6-8-7-19-12(14-8)10-2-1-5-18-10/h1-2,5,7,9,15,17H,3-4,6H2,(H,13,16)
InChIKeyUKUXAUFTGXVNTQ-UHFFFAOYSA-N
MW314.46 g/mol
LogP1.82
Rot. Bonds6

About N-(2-hydroxyethyl)-2-sulfanyl-3-(2-thiophen-2-yl-1,3-thiazol-4-yl)propanamide

N-(2-hydroxyethyl)-2-sulfanyl-3-(2-thiophen-2-yl-1,3-thiazol-4-yl)propanamide (PubChem CID 11099066) has the molecular formula C12H14N2O2S3 and a molecular weight of 314.46 g/mol. Its IUPAC name is N-(2-hydroxyethyl)-2-sulfanyl-3-(2-thiophen-2-yl-1,3-thiazol-4-yl)propanamide.

Molecular Properties

Compound NameN-(2-hydroxyethyl)-2-sulfanyl-3-(2-thiophen-2-yl-1,3-thiazol-4-yl)propanamide
PubChem CID11099066
Molecular FormulaC12H14N2O2S3
Molecular Weight314.46 g/mol
Exact Mass314.02
IUPAC NameN-(2-hydroxyethyl)-2-sulfanyl-3-(2-thiophen-2-yl-1,3-thiazol-4-yl)propanamide
SMILESO=C(NCCO)C(S)Cc1csc(-c2cccs2)n1
InChIInChI=1S/C12H14N2O2S3/c15-4-3-13-11(16)9(17)6-8-7-19-12(14-8)10-2-1-5-18-10/h1-2,5,7,9,15,17H,3-4,6H2,(H,13,16)
InChIKeyUKUXAUFTGXVNTQ-UHFFFAOYSA-N
XLogP1.82
TPSA62.22 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.46
LogP ≤ 51.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

Arotinolol Hydrochloride
CID 155032
Arotinolol
CID 2239
N-{[2-(2-thienyl)-1,3-thiazol-4-yl]methyl}propanamide
CID 2738814
N-{[2-(2-thienyl)-1,3-thiazol-4-yl]methyl}cyclopropanecarboxamide
CID 2738812
Arotinolol, (S)-
CID 12797284
2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-N-(thiophen-2-ylmethyl)acetamide
CID 2532748
N-[2-(2-thiophen-2-yl-1,3-thiazol-4-yl)ethyl]cyclopentanecarboxamide
CID 118524461
US9216962, Cfh325-B
CID 71467629
N-{[2-(2-thienyl)-1,3-thiazol-4-yl]methyl}cyclobutanecarboxamide
CID 2738827
1,1,1-Trifluoro-3-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methylamino]propan-2-ol
CID 2738630
N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]thiophene-2-carboxamide
CID 3238025
3-(1,3-thiazol-4-yl)-N-(2-thiophen-2-ylethyl)propanamide
CID 47080825

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxyethyl)-2-sulfanyl-3-(2-thiophen-2-yl-1,3-thiazol-4-yl)propanamide?
The IUPAC name of N-(2-hydroxyethyl)-2-sulfanyl-3-(2-thiophen-2-yl-1,3-thiazol-4-yl)propanamide (CID 11099066) is N-(2-hydroxyethyl)-2-sulfanyl-3-(2-thiophen-2-yl-1,3-thiazol-4-yl)propanamide.
What is the SMILES notation for N-(2-hydroxyethyl)-2-sulfanyl-3-(2-thiophen-2-yl-1,3-thiazol-4-yl)propanamide?
The canonical SMILES for N-(2-hydroxyethyl)-2-sulfanyl-3-(2-thiophen-2-yl-1,3-thiazol-4-yl)propanamide is O=C(NCCO)C(S)Cc1csc(-c2cccs2)n1.
What is the InChIKey of N-(2-hydroxyethyl)-2-sulfanyl-3-(2-thiophen-2-yl-1,3-thiazol-4-yl)propanamide?
The InChIKey is UKUXAUFTGXVNTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O2S3/c15-4-3-13-11(16)9(17)6-8-7-19-12(14-8)10-2-1-5-18-10/h1-2,5,7,9,15,17H,3-4,6H2,(H,13,16).
What are the key properties of N-(2-hydroxyethyl)-2-sulfanyl-3-(2-thiophen-2-yl-1,3-thiazol-4-yl)propanamide?
N-(2-hydroxyethyl)-2-sulfanyl-3-(2-thiophen-2-yl-1,3-thiazol-4-yl)propanamide has a molecular weight of 314.46 g/mol, XLogP of 1.82, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxyethyl)-2-sulfanyl-3-(2-thiophen-2-yl-1,3-thiazol-4-yl)propanamide is sourced from PubChem (CID 11099066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).