N-(4-hydroxy-2,5-dimethylphenyl)-4-propylthiadiazole-5-carboxamide

C14H17N3O2S — CID 136827232

IUPACN-(4-hydroxy-2,5-dimethylphenyl)-4-propylthiadiazole-5-carboxamide
SMILESCCCc1nnsc1C(=O)Nc1cc(C)c(O)cc1C
InChIInChI=1S/C14H17N3O2S/c1-4-5-10-13(20-17-16-10)14(19)15-11-6-9(3)12(18)7-8(11)2/h6-7,18H,4-5H2,1-3H3,(H,15,19)
InChIKeyOXBFSRMZTOHZAQ-UHFFFAOYSA-N
MW291.38 g/mol
LogP3.07
Rot. Bonds4

About N-(4-hydroxy-2,5-dimethylphenyl)-4-propylthiadiazole-5-carboxamide

N-(4-hydroxy-2,5-dimethylphenyl)-4-propylthiadiazole-5-carboxamide (PubChem CID 136827232) has the molecular formula C14H17N3O2S and a molecular weight of 291.38 g/mol. Its IUPAC name is N-(4-hydroxy-2,5-dimethylphenyl)-4-propylthiadiazole-5-carboxamide.

Molecular Properties

Compound NameN-(4-hydroxy-2,5-dimethylphenyl)-4-propylthiadiazole-5-carboxamide
PubChem CID136827232
Molecular FormulaC14H17N3O2S
Molecular Weight291.38 g/mol
Exact Mass291.10
IUPAC NameN-(4-hydroxy-2,5-dimethylphenyl)-4-propylthiadiazole-5-carboxamide
SMILESCCCc1nnsc1C(=O)Nc1cc(C)c(O)cc1C
InChIInChI=1S/C14H17N3O2S/c1-4-5-10-13(20-17-16-10)14(19)15-11-6-9(3)12(18)7-8(11)2/h6-7,18H,4-5H2,1-3H3,(H,15,19)
InChIKeyOXBFSRMZTOHZAQ-UHFFFAOYSA-N
XLogP3.07
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.38
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(4-amino-3-methylphenyl)-4-propylthiadiazole-5-carboxamide
CID 65206399
N-(2-amino-4-fluorophenyl)-4-propylthiadiazole-5-carboxamide
CID 65206200
N-(6-chloro-5-methyl-3-pyridinyl)-4-propylthiadiazole-5-carboxamide
CID 114049064
N-(2-amino-5-methoxyphenyl)-4-propylthiadiazole-5-carboxamide
CID 65210587
N-(6-amino-2,3-dimethylphenyl)-4-propylthiadiazole-5-carboxamide
CID 65206061
N-(4-amino-2,5-dimethylphenyl)-4-methylthiadiazole-5-carboxamide
CID 103144442
N-[2-(3-hydroxyprop-1-ynyl)phenyl]-4-propylthiadiazole-5-carboxamide
CID 65207549
4-[(4-ethylthiadiazole-5-carbonyl)amino]-3-methylbenzenesulfonyl chloride
CID 65205156
N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-4-propylthiadiazole-5-carboxamide
CID 122286575
N-(1-cyanopropyl)-4-propylthiadiazole-5-carboxamide
CID 65204910
N-(2-bromo-6-chloro-4-fluorophenyl)-4-propylthiadiazole-5-carboxamide
CID 107612541
2-[(4-ethylthiadiazole-5-carbonyl)amino]-4,5-difluorobenzoic acid
CID 65205703

Frequently Asked Questions

What is the IUPAC name of N-(4-hydroxy-2,5-dimethylphenyl)-4-propylthiadiazole-5-carboxamide?
The IUPAC name of N-(4-hydroxy-2,5-dimethylphenyl)-4-propylthiadiazole-5-carboxamide (CID 136827232) is N-(4-hydroxy-2,5-dimethylphenyl)-4-propylthiadiazole-5-carboxamide.
What is the SMILES notation for N-(4-hydroxy-2,5-dimethylphenyl)-4-propylthiadiazole-5-carboxamide?
The canonical SMILES for N-(4-hydroxy-2,5-dimethylphenyl)-4-propylthiadiazole-5-carboxamide is CCCc1nnsc1C(=O)Nc1cc(C)c(O)cc1C.
What is the InChIKey of N-(4-hydroxy-2,5-dimethylphenyl)-4-propylthiadiazole-5-carboxamide?
The InChIKey is OXBFSRMZTOHZAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2S/c1-4-5-10-13(20-17-16-10)14(19)15-11-6-9(3)12(18)7-8(11)2/h6-7,18H,4-5H2,1-3H3,(H,15,19).
What are the key properties of N-(4-hydroxy-2,5-dimethylphenyl)-4-propylthiadiazole-5-carboxamide?
N-(4-hydroxy-2,5-dimethylphenyl)-4-propylthiadiazole-5-carboxamide has a molecular weight of 291.38 g/mol, XLogP of 3.07, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-hydroxy-2,5-dimethylphenyl)-4-propylthiadiazole-5-carboxamide is sourced from PubChem (CID 136827232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).