2-[[5-(2-hydroxy-3-naphthalen-2-yloxypropyl)sulfanyl-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide

C17H17N3O3S3 — CID 43018973

IUPAC2-[[5-(2-hydroxy-3-naphthalen-2-yloxypropyl)sulfanyl-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide
SMILESNC(=O)CSc1nnc(SCC(O)COc2ccc3ccccc3c2)s1
InChIInChI=1S/C17H17N3O3S3/c18-15(22)10-25-17-20-19-16(26-17)24-9-13(21)8-23-14-6-5-11-3-1-2-4-12(11)7-14/h1-7,13,21H,8-10H2,(H2,18,22)
InChIKeyCSFGZERHPKMJPX-UHFFFAOYSA-N
MW407.54 g/mol
LogP2.80
Rot. Bonds9

About 2-[[5-(2-hydroxy-3-naphthalen-2-yloxypropyl)sulfanyl-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide

2-[[5-(2-hydroxy-3-naphthalen-2-yloxypropyl)sulfanyl-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide (PubChem CID 43018973) has the molecular formula C17H17N3O3S3 and a molecular weight of 407.54 g/mol. Its IUPAC name is 2-[[5-(2-hydroxy-3-naphthalen-2-yloxypropyl)sulfanyl-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide.

Molecular Properties

Compound Name2-[[5-(2-hydroxy-3-naphthalen-2-yloxypropyl)sulfanyl-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide
PubChem CID43018973
Molecular FormulaC17H17N3O3S3
Molecular Weight407.54 g/mol
Exact Mass407.04
IUPAC Name2-[[5-(2-hydroxy-3-naphthalen-2-yloxypropyl)sulfanyl-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide
SMILESNC(=O)CSc1nnc(SCC(O)COc2ccc3ccccc3c2)s1
InChIInChI=1S/C17H17N3O3S3/c18-15(22)10-25-17-20-19-16(26-17)24-9-13(21)8-23-14-6-5-11-3-1-2-4-12(11)7-14/h1-7,13,21H,8-10H2,(H2,18,22)
InChIKeyCSFGZERHPKMJPX-UHFFFAOYSA-N
XLogP2.80
TPSA98.33 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.54
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 2-[[5-(2-hydroxy-3-naphthalen-2-yloxypropyl)sulfanyl-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide 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

1-naphthalen-2-yloxy-3-[[5-(prop-2-enylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]propan-2-ol
CID 51223216
1-[[5-(4-chlorophenyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-3-naphthalen-2-yloxypropan-2-ol
CID 24593277
N-[5-(2-methylpropylsulfanyl)-1,3,4-thiadiazol-2-yl]-2-naphthalen-2-yloxyacetamide
CID 100770760
(2R)-1-[(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)sulfanyl]-3-naphthalen-2-yloxypropan-2-ol
CID 52503254
1-amino-3-naphthalen-2-yloxypropan-2-ol;hydrochloride
CID 119057189
1-(1-cyclohexyltetrazol-5-yl)sulfanyl-3-naphthalen-2-yloxypropan-2-ol
CID 46692162
1-[4-[2-hydroxy-3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propoxy]phenyl]propan-1-one
CID 24661190
(2-hydroxy-3-naphthalen-2-yloxypropyl) prop-2-enoate
CID 58021551
(2S)-1-[[5-(ethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-3-phenoxypropan-2-ol
CID 41457712
[(2S)-2-hydroxy-3-naphthalen-2-yloxypropyl]-dimethylazanium
CID 7452468
1-(4-tert-butylphenoxy)-3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propan-2-ol
CID 110879373
(2S)-1-[[5-(ethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-3-(4-methoxyphenoxy)propan-2-ol
CID 30661617

Frequently Asked Questions

What is the IUPAC name of 2-[[5-(2-hydroxy-3-naphthalen-2-yloxypropyl)sulfanyl-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide?
The IUPAC name of 2-[[5-(2-hydroxy-3-naphthalen-2-yloxypropyl)sulfanyl-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide (CID 43018973) is 2-[[5-(2-hydroxy-3-naphthalen-2-yloxypropyl)sulfanyl-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide.
What is the SMILES notation for 2-[[5-(2-hydroxy-3-naphthalen-2-yloxypropyl)sulfanyl-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide?
The canonical SMILES for 2-[[5-(2-hydroxy-3-naphthalen-2-yloxypropyl)sulfanyl-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide is NC(=O)CSc1nnc(SCC(O)COc2ccc3ccccc3c2)s1.
What is the InChIKey of 2-[[5-(2-hydroxy-3-naphthalen-2-yloxypropyl)sulfanyl-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide?
The InChIKey is CSFGZERHPKMJPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O3S3/c18-15(22)10-25-17-20-19-16(26-17)24-9-13(21)8-23-14-6-5-11-3-1-2-4-12(11)7-14/h1-7,13,21H,8-10H2,(H2,18,22).
What are the key properties of 2-[[5-(2-hydroxy-3-naphthalen-2-yloxypropyl)sulfanyl-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide?
2-[[5-(2-hydroxy-3-naphthalen-2-yloxypropyl)sulfanyl-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide has a molecular weight of 407.54 g/mol, XLogP of 2.80, 9 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-(2-hydroxy-3-naphthalen-2-yloxypropyl)sulfanyl-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide is sourced from PubChem (CID 43018973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).