N-[(1S)-1-(5-ethylfuran-2-yl)-2-methoxyethyl]-1,3-thiazole-4-sulfonamide

C12H16N2O4S2 — CID 125421608

IUPACN-[(1S)-1-(5-ethylfuran-2-yl)-2-methoxyethyl]-1,3-thiazole-4-sulfonamide
SMILESCCc1ccc([C@H](COC)NS(=O)(=O)c2cscn2)o1
InChIInChI=1S/C12H16N2O4S2/c1-3-9-4-5-11(18-9)10(6-17-2)14-20(15,16)12-7-19-8-13-12/h4-5,7-8,10,14H,3,6H2,1-2H3/t10-/m0/s1
InChIKeyHYACRXPIRPNNFA-JTQLQIEISA-N
MW316.40 g/mol
LogP1.96
Rot. Bonds7

About N-[(1S)-1-(5-ethylfuran-2-yl)-2-methoxyethyl]-1,3-thiazole-4-sulfonamide

N-[(1S)-1-(5-ethylfuran-2-yl)-2-methoxyethyl]-1,3-thiazole-4-sulfonamide (PubChem CID 125421608) has the molecular formula C12H16N2O4S2 and a molecular weight of 316.40 g/mol. Its IUPAC name is N-[(1S)-1-(5-ethylfuran-2-yl)-2-methoxyethyl]-1,3-thiazole-4-sulfonamide.

Molecular Properties

Compound NameN-[(1S)-1-(5-ethylfuran-2-yl)-2-methoxyethyl]-1,3-thiazole-4-sulfonamide
PubChem CID125421608
Molecular FormulaC12H16N2O4S2
Molecular Weight316.40 g/mol
Exact Mass316.06
IUPAC NameN-[(1S)-1-(5-ethylfuran-2-yl)-2-methoxyethyl]-1,3-thiazole-4-sulfonamide
SMILESCCc1ccc([C@H](COC)NS(=O)(=O)c2cscn2)o1
InChIInChI=1S/C12H16N2O4S2/c1-3-9-4-5-11(18-9)10(6-17-2)14-20(15,16)12-7-19-8-13-12/h4-5,7-8,10,14H,3,6H2,1-2H3/t10-/m0/s1
InChIKeyHYACRXPIRPNNFA-JTQLQIEISA-N
XLogP1.96
TPSA81.43 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.40
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-chloro-N-[1-(furan-2-yl)ethyl]-1,3-thiazole-5-sulfonamide
CID 43535724
2-chloro-N-[1-(5-methylfuran-2-yl)ethyl]-1,3-thiazole-5-sulfonamide
CID 61051231
2-chloro-4-methyl-N-[1-(5-methylfuran-2-yl)ethyl]-1,3-thiazole-5-sulfonamide
CID 61051232
5-[(2-methoxyethylamino)methyl]-N-(1,3-thiazol-2-ylmethyl)furan-2-sulfonamide
CID 65579376
5-(aminomethyl)-N-[1-(1,3-thiazol-2-yl)propyl]furan-2-sulfonamide
CID 65594228
5-(aminomethyl)-N-[1-(1,3-thiazol-2-yl)ethyl]furan-2-sulfonamide
CID 65594613
5-[(2-methoxyethylamino)methyl]-N-(1,3-thiazol-4-ylmethyl)furan-2-sulfonamide
CID 65594793
5-(aminomethyl)-N-(1,3-thiazol-4-ylmethyl)furan-2-sulfonamide
CID 65595179
5-[(propan-2-ylamino)methyl]-N-(1,3-thiazol-4-ylmethyl)furan-2-sulfonamide
CID 65595180
5-(aminomethyl)-N-[2-(1,3-thiazol-4-yl)ethyl]furan-2-sulfonamide
CID 65595564
5-[(propan-2-ylamino)methyl]-N-[2-(1,3-thiazol-4-yl)ethyl]furan-2-sulfonamide
CID 65595565
5-(aminomethyl)-N-methyl-N-(1,3-thiazol-4-ylmethyl)furan-2-sulfonamide
CID 65596100

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(5-ethylfuran-2-yl)-2-methoxyethyl]-1,3-thiazole-4-sulfonamide?
The IUPAC name of N-[(1S)-1-(5-ethylfuran-2-yl)-2-methoxyethyl]-1,3-thiazole-4-sulfonamide (CID 125421608) is N-[(1S)-1-(5-ethylfuran-2-yl)-2-methoxyethyl]-1,3-thiazole-4-sulfonamide.
What is the SMILES notation for N-[(1S)-1-(5-ethylfuran-2-yl)-2-methoxyethyl]-1,3-thiazole-4-sulfonamide?
The canonical SMILES for N-[(1S)-1-(5-ethylfuran-2-yl)-2-methoxyethyl]-1,3-thiazole-4-sulfonamide is CCc1ccc([C@H](COC)NS(=O)(=O)c2cscn2)o1.
What is the InChIKey of N-[(1S)-1-(5-ethylfuran-2-yl)-2-methoxyethyl]-1,3-thiazole-4-sulfonamide?
The InChIKey is HYACRXPIRPNNFA-JTQLQIEISA-N. The full InChI is InChI=1S/C12H16N2O4S2/c1-3-9-4-5-11(18-9)10(6-17-2)14-20(15,16)12-7-19-8-13-12/h4-5,7-8,10,14H,3,6H2,1-2H3/t10-/m0/s1.
What are the key properties of N-[(1S)-1-(5-ethylfuran-2-yl)-2-methoxyethyl]-1,3-thiazole-4-sulfonamide?
N-[(1S)-1-(5-ethylfuran-2-yl)-2-methoxyethyl]-1,3-thiazole-4-sulfonamide has a molecular weight of 316.40 g/mol, XLogP of 1.96, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(5-ethylfuran-2-yl)-2-methoxyethyl]-1,3-thiazole-4-sulfonamide is sourced from PubChem (CID 125421608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).