N-[4-[5-(aminomethyl)furan-2-yl]-1,3-thiazol-2-yl]-2-methylpropane-2-sulfonamide

C12H17N3O3S2 — CID 63689366

IUPACN-[4-[5-(aminomethyl)furan-2-yl]-1,3-thiazol-2-yl]-2-methylpropane-2-sulfonamide
SMILESCC(C)(C)S(=O)(=O)Nc1nc(-c2ccc(CN)o2)cs1
InChIInChI=1S/C12H17N3O3S2/c1-12(2,3)20(16,17)15-11-14-9(7-19-11)10-5-4-8(6-13)18-10/h4-5,7H,6,13H2,1-3H3,(H,14,15)
InChIKeyNNRYOUQQHOSNDU-UHFFFAOYSA-N
MW315.42 g/mol
LogP2.40
Rot. Bonds4

About N-[4-[5-(aminomethyl)furan-2-yl]-1,3-thiazol-2-yl]-2-methylpropane-2-sulfonamide

N-[4-[5-(aminomethyl)furan-2-yl]-1,3-thiazol-2-yl]-2-methylpropane-2-sulfonamide (PubChem CID 63689366) has the molecular formula C12H17N3O3S2 and a molecular weight of 315.42 g/mol. Its IUPAC name is N-[4-[5-(aminomethyl)furan-2-yl]-1,3-thiazol-2-yl]-2-methylpropane-2-sulfonamide.

Molecular Properties

Compound NameN-[4-[5-(aminomethyl)furan-2-yl]-1,3-thiazol-2-yl]-2-methylpropane-2-sulfonamide
PubChem CID63689366
Molecular FormulaC12H17N3O3S2
Molecular Weight315.42 g/mol
Exact Mass315.07
IUPAC NameN-[4-[5-(aminomethyl)furan-2-yl]-1,3-thiazol-2-yl]-2-methylpropane-2-sulfonamide
SMILESCC(C)(C)S(=O)(=O)Nc1nc(-c2ccc(CN)o2)cs1
InChIInChI=1S/C12H17N3O3S2/c1-12(2,3)20(16,17)15-11-14-9(7-19-11)10-5-4-8(6-13)18-10/h4-5,7H,6,13H2,1-3H3,(H,14,15)
InChIKeyNNRYOUQQHOSNDU-UHFFFAOYSA-N
XLogP2.40
TPSA98.22 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.42
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[4-[5-(aminomethyl)furan-2-yl]-1,3-thiazol-2-yl]-2-methylpropane-2-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[4-[5-(aminomethyl)furan-2-yl]-1,3-thiazol-2-yl]-2-methylpropane-2-sulfonamide?
The IUPAC name of N-[4-[5-(aminomethyl)furan-2-yl]-1,3-thiazol-2-yl]-2-methylpropane-2-sulfonamide (CID 63689366) is N-[4-[5-(aminomethyl)furan-2-yl]-1,3-thiazol-2-yl]-2-methylpropane-2-sulfonamide.
What is the SMILES notation for N-[4-[5-(aminomethyl)furan-2-yl]-1,3-thiazol-2-yl]-2-methylpropane-2-sulfonamide?
The canonical SMILES for N-[4-[5-(aminomethyl)furan-2-yl]-1,3-thiazol-2-yl]-2-methylpropane-2-sulfonamide is CC(C)(C)S(=O)(=O)Nc1nc(-c2ccc(CN)o2)cs1.
What is the InChIKey of N-[4-[5-(aminomethyl)furan-2-yl]-1,3-thiazol-2-yl]-2-methylpropane-2-sulfonamide?
The InChIKey is NNRYOUQQHOSNDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O3S2/c1-12(2,3)20(16,17)15-11-14-9(7-19-11)10-5-4-8(6-13)18-10/h4-5,7H,6,13H2,1-3H3,(H,14,15).
What are the key properties of N-[4-[5-(aminomethyl)furan-2-yl]-1,3-thiazol-2-yl]-2-methylpropane-2-sulfonamide?
N-[4-[5-(aminomethyl)furan-2-yl]-1,3-thiazol-2-yl]-2-methylpropane-2-sulfonamide has a molecular weight of 315.42 g/mol, XLogP of 2.40, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[5-(aminomethyl)furan-2-yl]-1,3-thiazol-2-yl]-2-methylpropane-2-sulfonamide is sourced from PubChem (CID 63689366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).