N-[5-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-1,3,4-thiadiazol-2-yl]-2-methoxybenzamide

C15H17N3O5S — CID 46943595

IUPACN-[5-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-1,3,4-thiadiazol-2-yl]-2-methoxybenzamide
SMILESCOc1ccccc1C(=O)Nc1nnc([C@H]2C[C@H](O)[C@@H](CO)O2)s1
InChIInChI=1S/C15H17N3O5S/c1-22-10-5-3-2-4-8(10)13(21)16-15-18-17-14(24-15)11-6-9(20)12(7-19)23-11/h2-5,9,11-12,19-20H,6-7H2,1H3,(H,16,18,21)/t9-,11+,12+/m0/s1
InChIKeyNKNXNODBOWTHQX-MVWJERBFSA-N
MW351.38 g/mol
LogP0.98
Rot. Bonds5

About N-[5-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-1,3,4-thiadiazol-2-yl]-2-methoxybenzamide

N-[5-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-1,3,4-thiadiazol-2-yl]-2-methoxybenzamide (PubChem CID 46943595) has the molecular formula C15H17N3O5S and a molecular weight of 351.38 g/mol. Its IUPAC name is N-[5-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-1,3,4-thiadiazol-2-yl]-2-methoxybenzamide.

Molecular Properties

Compound NameN-[5-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-1,3,4-thiadiazol-2-yl]-2-methoxybenzamide
PubChem CID46943595
Molecular FormulaC15H17N3O5S
Molecular Weight351.38 g/mol
Exact Mass351.09
IUPAC NameN-[5-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-1,3,4-thiadiazol-2-yl]-2-methoxybenzamide
SMILESCOc1ccccc1C(=O)Nc1nnc([C@H]2C[C@H](O)[C@@H](CO)O2)s1
InChIInChI=1S/C15H17N3O5S/c1-22-10-5-3-2-4-8(10)13(21)16-15-18-17-14(24-15)11-6-9(20)12(7-19)23-11/h2-5,9,11-12,19-20H,6-7H2,1H3,(H,16,18,21)/t9-,11+,12+/m0/s1
InChIKeyNKNXNODBOWTHQX-MVWJERBFSA-N
XLogP0.98
TPSA113.80 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.38
LogP ≤ 50.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze N-[5-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-1,3,4-thiadiazol-2-yl]-2-methoxybenzamide 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-butyl-1,3,4-thiadiazol-2-yl)-2-methoxybenzamide
CID 40535473
2-methoxy-N-[5-[2-[2-[5-[(2-methoxybenzoyl)amino]-1,3,4-thiadiazol-2-yl]ethylsulfanyl]ethyl]-1,3,4-thiadiazol-2-yl]benzamide
CID 3112374
N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2-propan-2-yloxybenzamide
CID 167979514
2-[[5-[(2-methoxybenzoyl)amino]-1,3,4-thiadiazol-2-yl]sulfanyl]acetic acid
CID 61285140
N-[(1S,3S,4S)-3-hydroxy-4-(hydroxymethyl)cyclopentyl]-2-methoxybenzamide
CID 98783443
N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2,6-dimethoxybenzamide
CID 13239341
N-[5-(2-hydroxyethyl)-1,3-thiazol-2-yl]-2-methoxybenzamide
CID 167969899
2-methoxy-N-[5-[(1S)-1-phenylpropyl]-1,3,4-thiadiazol-2-yl]benzamide
CID 1389058
N-[5-[(4-chlorophenyl)methyl]-1,3,4-thiadiazol-2-yl]-2-methoxybenzamide
CID 19172987
N-(5-cyclopropyl-1,3-thiazol-2-yl)-2-methoxybenzamide
CID 155951835
N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2-(difluoromethoxy)benzamide
CID 18077911
N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2,4-dimethoxybenzamide
CID 18075073

Frequently Asked Questions

What is the IUPAC name of N-[5-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-1,3,4-thiadiazol-2-yl]-2-methoxybenzamide?
The IUPAC name of N-[5-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-1,3,4-thiadiazol-2-yl]-2-methoxybenzamide (CID 46943595) is N-[5-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-1,3,4-thiadiazol-2-yl]-2-methoxybenzamide.
What is the SMILES notation for N-[5-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-1,3,4-thiadiazol-2-yl]-2-methoxybenzamide?
The canonical SMILES for N-[5-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-1,3,4-thiadiazol-2-yl]-2-methoxybenzamide is COc1ccccc1C(=O)Nc1nnc([C@H]2C[C@H](O)[C@@H](CO)O2)s1.
What is the InChIKey of N-[5-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-1,3,4-thiadiazol-2-yl]-2-methoxybenzamide?
The InChIKey is NKNXNODBOWTHQX-MVWJERBFSA-N. The full InChI is InChI=1S/C15H17N3O5S/c1-22-10-5-3-2-4-8(10)13(21)16-15-18-17-14(24-15)11-6-9(20)12(7-19)23-11/h2-5,9,11-12,19-20H,6-7H2,1H3,(H,16,18,21)/t9-,11+,12+/m0/s1.
What are the key properties of N-[5-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-1,3,4-thiadiazol-2-yl]-2-methoxybenzamide?
N-[5-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-1,3,4-thiadiazol-2-yl]-2-methoxybenzamide has a molecular weight of 351.38 g/mol, XLogP of 0.98, 5 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-1,3,4-thiadiazol-2-yl]-2-methoxybenzamide is sourced from PubChem (CID 46943595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).