2-amino-N-[1-(furan-2-yl)ethyl]-4-methyl-1,3-thiazole-5-sulfonamide

C10H13N3O3S2 — CID 63947212

IUPAC2-amino-N-[1-(furan-2-yl)ethyl]-4-methyl-1,3-thiazole-5-sulfonamide
SMILESCc1nc(N)sc1S(=O)(=O)NC(C)c1ccco1
InChIInChI=1S/C10H13N3O3S2/c1-6(8-4-3-5-16-8)13-18(14,15)9-7(2)12-10(11)17-9/h3-6,13H,1-2H3,(H2,11,12)
InChIKeyMCDJKSWNSPSWLS-UHFFFAOYSA-N
MW287.37 g/mol
LogP1.67
Rot. Bonds4

About 2-amino-N-[1-(furan-2-yl)ethyl]-4-methyl-1,3-thiazole-5-sulfonamide

2-amino-N-[1-(furan-2-yl)ethyl]-4-methyl-1,3-thiazole-5-sulfonamide (PubChem CID 63947212) has the molecular formula C10H13N3O3S2 and a molecular weight of 287.37 g/mol. Its IUPAC name is 2-amino-N-[1-(furan-2-yl)ethyl]-4-methyl-1,3-thiazole-5-sulfonamide.

Molecular Properties

Compound Name2-amino-N-[1-(furan-2-yl)ethyl]-4-methyl-1,3-thiazole-5-sulfonamide
PubChem CID63947212
Molecular FormulaC10H13N3O3S2
Molecular Weight287.37 g/mol
Exact Mass287.04
IUPAC Name2-amino-N-[1-(furan-2-yl)ethyl]-4-methyl-1,3-thiazole-5-sulfonamide
SMILESCc1nc(N)sc1S(=O)(=O)NC(C)c1ccco1
InChIInChI=1S/C10H13N3O3S2/c1-6(8-4-3-5-16-8)13-18(14,15)9-7(2)12-10(11)17-9/h3-6,13H,1-2H3,(H2,11,12)
InChIKeyMCDJKSWNSPSWLS-UHFFFAOYSA-N
XLogP1.67
TPSA98.22 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.37
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-amino-4-methyl-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-1,3-thiazole-5-sulfonamide
CID 106388982
2-amino-4-methyl-N-(1-phenylpropan-2-yl)-1,3-thiazole-5-sulfonamide
CID 63945031
5-amino-N-[1-(furan-2-yl)ethyl]-2,3-dimethylbenzenesulfonamide
CID 43535591
5-(aminomethyl)-N-[1-(furan-2-yl)ethyl]thiophene-2-sulfonamide
CID 43535864
3-amino-N-[1-(furan-2-yl)ethyl]-2,6-dimethylbenzenesulfonamide
CID 43535569
N-[(1S)-1-(furan-2-yl)ethyl]-3,4-dimethylbenzenesulfonamide
CID 8817485
5-amino-2-fluoro-N-[1-(furan-2-yl)ethyl]-3-methylbenzenesulfonamide
CID 80645561
3-amino-4-fluoro-N-[1-(furan-2-yl)ethyl]-5-methylbenzenesulfonamide
CID 115421239
4-chloro-N-[(1S)-1-(furan-2-yl)ethyl]benzenesulfonamide
CID 8817386
2-amino-N-(2,6-diethylphenyl)-4-methyl-1,3-thiazole-5-sulfonamide
CID 63945975
4-amino-2-chloro-N-[1-(furan-2-yl)ethyl]benzenesulfonamide
CID 43535601
N-[(1R)-1-(furan-2-yl)ethyl]ethanesulfonamide
CID 81400303

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[1-(furan-2-yl)ethyl]-4-methyl-1,3-thiazole-5-sulfonamide?
The IUPAC name of 2-amino-N-[1-(furan-2-yl)ethyl]-4-methyl-1,3-thiazole-5-sulfonamide (CID 63947212) is 2-amino-N-[1-(furan-2-yl)ethyl]-4-methyl-1,3-thiazole-5-sulfonamide.
What is the SMILES notation for 2-amino-N-[1-(furan-2-yl)ethyl]-4-methyl-1,3-thiazole-5-sulfonamide?
The canonical SMILES for 2-amino-N-[1-(furan-2-yl)ethyl]-4-methyl-1,3-thiazole-5-sulfonamide is Cc1nc(N)sc1S(=O)(=O)NC(C)c1ccco1.
What is the InChIKey of 2-amino-N-[1-(furan-2-yl)ethyl]-4-methyl-1,3-thiazole-5-sulfonamide?
The InChIKey is MCDJKSWNSPSWLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O3S2/c1-6(8-4-3-5-16-8)13-18(14,15)9-7(2)12-10(11)17-9/h3-6,13H,1-2H3,(H2,11,12).
What are the key properties of 2-amino-N-[1-(furan-2-yl)ethyl]-4-methyl-1,3-thiazole-5-sulfonamide?
2-amino-N-[1-(furan-2-yl)ethyl]-4-methyl-1,3-thiazole-5-sulfonamide has a molecular weight of 287.37 g/mol, XLogP of 1.67, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[1-(furan-2-yl)ethyl]-4-methyl-1,3-thiazole-5-sulfonamide is sourced from PubChem (CID 63947212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).