N-(3-hydroxypropyl)-5-(4-methylphenyl)thiadiazole-4-carboxamide

C13H15N3O2S — CID 71688702

IUPACN-(3-hydroxypropyl)-5-(4-methylphenyl)thiadiazole-4-carboxamide
SMILESCc1ccc(-c2snnc2C(=O)NCCCO)cc1
InChIInChI=1S/C13H15N3O2S/c1-9-3-5-10(6-4-9)12-11(15-16-19-12)13(18)14-7-2-8-17/h3-6,17H,2,7-8H2,1H3,(H,14,18)
InChIKeyDUUMPBGGOWKGRH-UHFFFAOYSA-N
MW277.35 g/mol
LogP1.63
Rot. Bonds5

About N-(3-hydroxypropyl)-5-(4-methylphenyl)thiadiazole-4-carboxamide

N-(3-hydroxypropyl)-5-(4-methylphenyl)thiadiazole-4-carboxamide (PubChem CID 71688702) has the molecular formula C13H15N3O2S and a molecular weight of 277.35 g/mol. Its IUPAC name is N-(3-hydroxypropyl)-5-(4-methylphenyl)thiadiazole-4-carboxamide.

Molecular Properties

Compound NameN-(3-hydroxypropyl)-5-(4-methylphenyl)thiadiazole-4-carboxamide
PubChem CID71688702
Molecular FormulaC13H15N3O2S
Molecular Weight277.35 g/mol
Exact Mass277.09
IUPAC NameN-(3-hydroxypropyl)-5-(4-methylphenyl)thiadiazole-4-carboxamide
SMILESCc1ccc(-c2snnc2C(=O)NCCCO)cc1
InChIInChI=1S/C13H15N3O2S/c1-9-3-5-10(6-4-9)12-11(15-16-19-12)13(18)14-7-2-8-17/h3-6,17H,2,7-8H2,1H3,(H,14,18)
InChIKeyDUUMPBGGOWKGRH-UHFFFAOYSA-N
XLogP1.63
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.35
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-(4-methylphenyl)-N-(2-phenylethyl)thiadiazole-4-carboxamide
CID 56731044
N-[3-(dimethylamino)propyl]-5-phenylthiadiazole-4-carboxamide
CID 71688668
5-(4-methylphenyl)-N-(2-morpholin-4-ylethyl)thiadiazole-4-carboxamide
CID 71688703
5-(4-chlorophenyl)-N-(3-ethoxypropyl)thiadiazole-4-carboxamide
CID 71689865
ethane;N-(3-hydroxypropyl)-4-methylbenzamide;4-methylbenzamide
CID 143035952
N-(3-imidazol-1-ylpropyl)-5-phenylthiadiazole-4-carboxamide
CID 71688676
N-benzyl-5-phenylthiadiazole-4-carboxamide
CID 71688687
N-(3-hydroxypropyl)-4-propan-2-ylthiadiazole-5-carboxamide
CID 65204185
N-(3-hydroxypropyl)-N'-(4-methylphenyl)oxamide
CID 2247723
N-(6-hydroxyhexyl)-4-propylthiadiazole-5-carboxamide
CID 107843629
N-(3-methoxypropyl)-2-(4-methylphenyl)-1,3-thiazole-4-carboxamide
CID 51204736
N-ethyl-4-(4-methylphenyl)thiadiazole-5-carboxamide
CID 100748441

Frequently Asked Questions

What is the IUPAC name of N-(3-hydroxypropyl)-5-(4-methylphenyl)thiadiazole-4-carboxamide?
The IUPAC name of N-(3-hydroxypropyl)-5-(4-methylphenyl)thiadiazole-4-carboxamide (CID 71688702) is N-(3-hydroxypropyl)-5-(4-methylphenyl)thiadiazole-4-carboxamide.
What is the SMILES notation for N-(3-hydroxypropyl)-5-(4-methylphenyl)thiadiazole-4-carboxamide?
The canonical SMILES for N-(3-hydroxypropyl)-5-(4-methylphenyl)thiadiazole-4-carboxamide is Cc1ccc(-c2snnc2C(=O)NCCCO)cc1.
What is the InChIKey of N-(3-hydroxypropyl)-5-(4-methylphenyl)thiadiazole-4-carboxamide?
The InChIKey is DUUMPBGGOWKGRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O2S/c1-9-3-5-10(6-4-9)12-11(15-16-19-12)13(18)14-7-2-8-17/h3-6,17H,2,7-8H2,1H3,(H,14,18).
What are the key properties of N-(3-hydroxypropyl)-5-(4-methylphenyl)thiadiazole-4-carboxamide?
N-(3-hydroxypropyl)-5-(4-methylphenyl)thiadiazole-4-carboxamide has a molecular weight of 277.35 g/mol, XLogP of 1.63, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-hydroxypropyl)-5-(4-methylphenyl)thiadiazole-4-carboxamide is sourced from PubChem (CID 71688702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).