N-[5-(2,3,3-trimethylbutanoyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]methanesulfonamide

C14H23N3O3S2 — CID 126818877

IUPACN-[5-(2,3,3-trimethylbutanoyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]methanesulfonamide
SMILESCC(C(=O)N1CCc2nc(NS(C)(=O)=O)sc2C1)C(C)(C)C
InChIInChI=1S/C14H23N3O3S2/c1-9(14(2,3)4)12(18)17-7-6-10-11(8-17)21-13(15-10)16-22(5,19)20/h9H,6-8H2,1-5H3,(H,15,16)
InChIKeyHTLTXVZKNNQOFZ-UHFFFAOYSA-N
MW345.49 g/mol
LogP2.08
Rot. Bonds3

About N-[5-(2,3,3-trimethylbutanoyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]methanesulfonamide

N-[5-(2,3,3-trimethylbutanoyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]methanesulfonamide (PubChem CID 126818877) has the molecular formula C14H23N3O3S2 and a molecular weight of 345.49 g/mol. Its IUPAC name is N-[5-(2,3,3-trimethylbutanoyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]methanesulfonamide.

Molecular Properties

Compound NameN-[5-(2,3,3-trimethylbutanoyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]methanesulfonamide
PubChem CID126818877
Molecular FormulaC14H23N3O3S2
Molecular Weight345.49 g/mol
Exact Mass345.12
IUPAC NameN-[5-(2,3,3-trimethylbutanoyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]methanesulfonamide
SMILESCC(C(=O)N1CCc2nc(NS(C)(=O)=O)sc2C1)C(C)(C)C
InChIInChI=1S/C14H23N3O3S2/c1-9(14(2,3)4)12(18)17-7-6-10-11(8-17)21-13(15-10)16-22(5,19)20/h9H,6-8H2,1-5H3,(H,15,16)
InChIKeyHTLTXVZKNNQOFZ-UHFFFAOYSA-N
XLogP2.08
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.49
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[5-(2,3,3-trimethylbutanoyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]methanesulfonamide with MolForge

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

Launch Full Analysis

Related Compounds

N-[5-(2-cyclopropylacetyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]methanesulfonamide
CID 128524025
N-[5-(2-ethoxycyclopropanecarbonyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]methanesulfonamide
CID 122158739
tert-butyl 2-(propan-2-ylamino)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxylate
CID 62956988
1-[2-(1-aminoethenylamino)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]-2-methylpropan-1-one
CID 134372370
1-(5-tert-butylphosphanylcarbonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-3-methylurea
CID 88932094
N-[5-(2-ethylbutanoyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]furan-2-carboxamide
CID 90526439
1-cyano-N-[5-(2-methylpropanoyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]pyrrolidine-3-carboxamide
CID 118980982
tert-butyl 2-(2-methoxyethylamino)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxylate
CID 62957691
2-ethyl-N-[5-(3-methylbutanoyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]butanamide
CID 108725524
1-[2-(benzylamino)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]ethanone
CID 130556955
2-tert-butyl-N-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxamide
CID 135213413
2-methoxy-N-[5-(3-methylbutanoyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]acetamide
CID 108725629

Frequently Asked Questions

What is the IUPAC name of N-[5-(2,3,3-trimethylbutanoyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]methanesulfonamide?
The IUPAC name of N-[5-(2,3,3-trimethylbutanoyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]methanesulfonamide (CID 126818877) is N-[5-(2,3,3-trimethylbutanoyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]methanesulfonamide.
What is the SMILES notation for N-[5-(2,3,3-trimethylbutanoyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]methanesulfonamide?
The canonical SMILES for N-[5-(2,3,3-trimethylbutanoyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]methanesulfonamide is CC(C(=O)N1CCc2nc(NS(C)(=O)=O)sc2C1)C(C)(C)C.
What is the InChIKey of N-[5-(2,3,3-trimethylbutanoyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]methanesulfonamide?
The InChIKey is HTLTXVZKNNQOFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O3S2/c1-9(14(2,3)4)12(18)17-7-6-10-11(8-17)21-13(15-10)16-22(5,19)20/h9H,6-8H2,1-5H3,(H,15,16).
What are the key properties of N-[5-(2,3,3-trimethylbutanoyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]methanesulfonamide?
N-[5-(2,3,3-trimethylbutanoyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]methanesulfonamide has a molecular weight of 345.49 g/mol, XLogP of 2.08, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(2,3,3-trimethylbutanoyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]methanesulfonamide is sourced from PubChem (CID 126818877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).