N-[4-[ethyl(2-hydroxyethyl)amino]phenyl]-4-methylthiadiazole-5-carboxamide

C14H18N4O2S — CID 7553108

IUPACN-[4-[ethyl(2-hydroxyethyl)amino]phenyl]-4-methylthiadiazole-5-carboxamide
SMILESCCN(CCO)c1ccc(NC(=O)c2snnc2C)cc1
InChIInChI=1S/C14H18N4O2S/c1-3-18(8-9-19)12-6-4-11(5-7-12)15-14(20)13-10(2)16-17-21-13/h4-7,19H,3,8-9H2,1-2H3,(H,15,20)
InChIKeyCVVKYMKPSHTBIF-UHFFFAOYSA-N
MW306.39 g/mol
LogP1.92
Rot. Bonds6

About N-[4-[ethyl(2-hydroxyethyl)amino]phenyl]-4-methylthiadiazole-5-carboxamide

N-[4-[ethyl(2-hydroxyethyl)amino]phenyl]-4-methylthiadiazole-5-carboxamide (PubChem CID 7553108) has the molecular formula C14H18N4O2S and a molecular weight of 306.39 g/mol. Its IUPAC name is N-[4-[ethyl(2-hydroxyethyl)amino]phenyl]-4-methylthiadiazole-5-carboxamide.

Molecular Properties

Compound NameN-[4-[ethyl(2-hydroxyethyl)amino]phenyl]-4-methylthiadiazole-5-carboxamide
PubChem CID7553108
Molecular FormulaC14H18N4O2S
Molecular Weight306.39 g/mol
Exact Mass306.12
IUPAC NameN-[4-[ethyl(2-hydroxyethyl)amino]phenyl]-4-methylthiadiazole-5-carboxamide
SMILESCCN(CCO)c1ccc(NC(=O)c2snnc2C)cc1
InChIInChI=1S/C14H18N4O2S/c1-3-18(8-9-19)12-6-4-11(5-7-12)15-14(20)13-10(2)16-17-21-13/h4-7,19H,3,8-9H2,1-2H3,(H,15,20)
InChIKeyCVVKYMKPSHTBIF-UHFFFAOYSA-N
XLogP1.92
TPSA78.35 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.39
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

N-[4-(diethylsulfamoyl)phenyl]-4-methylthiadiazole-5-carboxamide
CID 9074136
2-(diethylamino)ethyl 4-[(4-methylthiadiazole-5-carbonyl)amino]benzoate
CID 21008218
N-[4-[ethyl(2-hydroxyethyl)amino]phenyl]-1H-pyrazole-4-carboxamide
CID 60933546
ethyl 3,5-dimethyl-1-[4-[(4-methylthiadiazole-5-carbonyl)amino]phenyl]pyrazole-4-carboxylate
CID 2740655
N-(3-hydroxy-4-methylphenyl)-4-methylthiadiazole-5-carboxamide
CID 64792721
N-(3,4-dichlorophenyl)-4-methylthiadiazole-5-carboxamide
CID 7293435
N-[4-(3-aminoprop-1-ynyl)phenyl]-4-methylthiadiazole-5-carboxamide
CID 60803056
N-[4-[ethyl(2-hydroxyethyl)amino]phenyl]-5-iodothiophene-3-carboxamide
CID 79691493
N-[4-[ethyl(2-hydroxyethyl)amino]phenyl]-4-hydroxybutanamide
CID 79204146
5-chloro-N-[4-[ethyl(2-hydroxyethyl)amino]phenyl]furan-2-carboxamide
CID 106685549
N-[4-(4-hydroxybut-1-ynyl)-3-methylphenyl]-4-methylthiadiazole-5-carboxamide
CID 60805127
N-(2,1,3-benzothiadiazol-5-yl)-4-methylthiadiazole-5-carboxamide
CID 20897506

Frequently Asked Questions

What is the IUPAC name of N-[4-[ethyl(2-hydroxyethyl)amino]phenyl]-4-methylthiadiazole-5-carboxamide?
The IUPAC name of N-[4-[ethyl(2-hydroxyethyl)amino]phenyl]-4-methylthiadiazole-5-carboxamide (CID 7553108) is N-[4-[ethyl(2-hydroxyethyl)amino]phenyl]-4-methylthiadiazole-5-carboxamide.
What is the SMILES notation for N-[4-[ethyl(2-hydroxyethyl)amino]phenyl]-4-methylthiadiazole-5-carboxamide?
The canonical SMILES for N-[4-[ethyl(2-hydroxyethyl)amino]phenyl]-4-methylthiadiazole-5-carboxamide is CCN(CCO)c1ccc(NC(=O)c2snnc2C)cc1.
What is the InChIKey of N-[4-[ethyl(2-hydroxyethyl)amino]phenyl]-4-methylthiadiazole-5-carboxamide?
The InChIKey is CVVKYMKPSHTBIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O2S/c1-3-18(8-9-19)12-6-4-11(5-7-12)15-14(20)13-10(2)16-17-21-13/h4-7,19H,3,8-9H2,1-2H3,(H,15,20).
What are the key properties of N-[4-[ethyl(2-hydroxyethyl)amino]phenyl]-4-methylthiadiazole-5-carboxamide?
N-[4-[ethyl(2-hydroxyethyl)amino]phenyl]-4-methylthiadiazole-5-carboxamide has a molecular weight of 306.39 g/mol, XLogP of 1.92, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[ethyl(2-hydroxyethyl)amino]phenyl]-4-methylthiadiazole-5-carboxamide is sourced from PubChem (CID 7553108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).