N-[2-(3-hydroxyprop-1-ynyl)phenyl]-4-propylthiadiazole-5-carboxamide

C15H15N3O2S — CID 65207549

IUPACN-[2-(3-hydroxyprop-1-ynyl)phenyl]-4-propylthiadiazole-5-carboxamide
SMILESCCCc1nnsc1C(=O)Nc1ccccc1C#CCO
InChIInChI=1S/C15H15N3O2S/c1-2-6-13-14(21-18-17-13)15(20)16-12-9-4-3-7-11(12)8-5-10-19/h3-4,7,9,19H,2,6,10H2,1H3,(H,16,20)
InChIKeyKPBYDRNELHWRLW-UHFFFAOYSA-N
MW301.37 g/mol
LogP2.09
Rot. Bonds4

About N-[2-(3-hydroxyprop-1-ynyl)phenyl]-4-propylthiadiazole-5-carboxamide

N-[2-(3-hydroxyprop-1-ynyl)phenyl]-4-propylthiadiazole-5-carboxamide (PubChem CID 65207549) has the molecular formula C15H15N3O2S and a molecular weight of 301.37 g/mol. Its IUPAC name is N-[2-(3-hydroxyprop-1-ynyl)phenyl]-4-propylthiadiazole-5-carboxamide.

Molecular Properties

Compound NameN-[2-(3-hydroxyprop-1-ynyl)phenyl]-4-propylthiadiazole-5-carboxamide
PubChem CID65207549
Molecular FormulaC15H15N3O2S
Molecular Weight301.37 g/mol
Exact Mass301.09
IUPAC NameN-[2-(3-hydroxyprop-1-ynyl)phenyl]-4-propylthiadiazole-5-carboxamide
SMILESCCCc1nnsc1C(=O)Nc1ccccc1C#CCO
InChIInChI=1S/C15H15N3O2S/c1-2-6-13-14(21-18-17-13)15(20)16-12-9-4-3-7-11(12)8-5-10-19/h3-4,7,9,19H,2,6,10H2,1H3,(H,16,20)
InChIKeyKPBYDRNELHWRLW-UHFFFAOYSA-N
XLogP2.09
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.37
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[4-chloro-2-(3-hydroxyprop-1-ynyl)phenyl]-4-ethylthiadiazole-5-carboxamide
CID 81252115
[2-(3-hydroxyprop-1-ynyl)phenyl]urea
CID 60803594
N-[2-(3-hydroxyprop-1-ynyl)-5-methylphenyl]-4-methylthiadiazole-5-carboxamide
CID 82767195
N-[2-(3-hydroxyprop-1-ynyl)phenyl]butanamide
CID 60800145
N-[2-(3-hydroxyprop-1-ynyl)phenyl]propanamide
CID 60800142
N-[2-(3-hydroxyprop-1-ynyl)phenyl]-2-methylbenzamide
CID 60800316
N-[2-(3-hydroxyprop-1-ynyl)phenyl]-4-methoxybenzamide
CID 60802229
N-[2-(3-hydroxyprop-1-ynyl)phenyl]-4-methyl-1,2-oxazole-5-carboxamide
CID 66335883
N-(2-amino-4-fluorophenyl)-4-propylthiadiazole-5-carboxamide
CID 65206200
N-(4-hydroxy-2,5-dimethylphenyl)-4-propylthiadiazole-5-carboxamide
CID 136827232
4-hydroxy-N-[2-(3-hydroxyprop-1-ynyl)phenyl]benzamide
CID 60802926
4-ethyl-N-[2-(methanesulfonamido)phenyl]thiadiazole-5-carboxamide
CID 25331555

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-hydroxyprop-1-ynyl)phenyl]-4-propylthiadiazole-5-carboxamide?
The IUPAC name of N-[2-(3-hydroxyprop-1-ynyl)phenyl]-4-propylthiadiazole-5-carboxamide (CID 65207549) is N-[2-(3-hydroxyprop-1-ynyl)phenyl]-4-propylthiadiazole-5-carboxamide.
What is the SMILES notation for N-[2-(3-hydroxyprop-1-ynyl)phenyl]-4-propylthiadiazole-5-carboxamide?
The canonical SMILES for N-[2-(3-hydroxyprop-1-ynyl)phenyl]-4-propylthiadiazole-5-carboxamide is CCCc1nnsc1C(=O)Nc1ccccc1C#CCO.
What is the InChIKey of N-[2-(3-hydroxyprop-1-ynyl)phenyl]-4-propylthiadiazole-5-carboxamide?
The InChIKey is KPBYDRNELHWRLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O2S/c1-2-6-13-14(21-18-17-13)15(20)16-12-9-4-3-7-11(12)8-5-10-19/h3-4,7,9,19H,2,6,10H2,1H3,(H,16,20).
What are the key properties of N-[2-(3-hydroxyprop-1-ynyl)phenyl]-4-propylthiadiazole-5-carboxamide?
N-[2-(3-hydroxyprop-1-ynyl)phenyl]-4-propylthiadiazole-5-carboxamide has a molecular weight of 301.37 g/mol, XLogP of 2.09, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-hydroxyprop-1-ynyl)phenyl]-4-propylthiadiazole-5-carboxamide is sourced from PubChem (CID 65207549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).