N-[(2R)-2-(3-chlorophenyl)-2-hydroxyethyl]-4-ethylthiadiazole-5-carboxamide

C13H14ClN3O2S — CID 94023467

IUPACN-[(2R)-2-(3-chlorophenyl)-2-hydroxyethyl]-4-ethylthiadiazole-5-carboxamide
SMILESCCc1nnsc1C(=O)NC[C@H](O)c1cccc(Cl)c1
InChIInChI=1S/C13H14ClN3O2S/c1-2-10-12(20-17-16-10)13(19)15-7-11(18)8-4-3-5-9(14)6-8/h3-6,11,18H,2,7H2,1H3,(H,15,19)/t11-/m0/s1
InChIKeyKZHGLXKJBRRAGS-NSHDSACASA-N
MW311.79 g/mol
LogP2.22
Rot. Bonds5

About N-[(2R)-2-(3-chlorophenyl)-2-hydroxyethyl]-4-ethylthiadiazole-5-carboxamide

N-[(2R)-2-(3-chlorophenyl)-2-hydroxyethyl]-4-ethylthiadiazole-5-carboxamide (PubChem CID 94023467) has the molecular formula C13H14ClN3O2S and a molecular weight of 311.79 g/mol. Its IUPAC name is N-[(2R)-2-(3-chlorophenyl)-2-hydroxyethyl]-4-ethylthiadiazole-5-carboxamide.

Molecular Properties

Compound NameN-[(2R)-2-(3-chlorophenyl)-2-hydroxyethyl]-4-ethylthiadiazole-5-carboxamide
PubChem CID94023467
Molecular FormulaC13H14ClN3O2S
Molecular Weight311.79 g/mol
Exact Mass311.05
IUPAC NameN-[(2R)-2-(3-chlorophenyl)-2-hydroxyethyl]-4-ethylthiadiazole-5-carboxamide
SMILESCCc1nnsc1C(=O)NC[C@H](O)c1cccc(Cl)c1
InChIInChI=1S/C13H14ClN3O2S/c1-2-10-12(20-17-16-10)13(19)15-7-11(18)8-4-3-5-9(14)6-8/h3-6,11,18H,2,7H2,1H3,(H,15,19)/t11-/m0/s1
InChIKeyKZHGLXKJBRRAGS-NSHDSACASA-N
XLogP2.22
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.79
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-ethyl-N-[(2S)-2-hydroxy-2-[2-(trifluoromethyl)phenyl]ethyl]thiadiazole-5-carboxamide
CID 94800227
N-[(2S)-2-(3-chlorophenyl)-2-hydroxyethyl]pyridine-4-carboxamide
CID 51725997
N-[(2R)-2-(3-chlorophenyl)-2-hydroxyethyl]pyridine-4-carboxamide
CID 51725998
4-ethyl-N-[3-(hydroxymethyl)phenyl]thiadiazole-5-carboxamide
CID 60693400
4-ethyl-N-(4-phenylbutyl)thiadiazole-5-carboxamide
CID 24563625
3-[(4-ethylthiadiazole-5-carbonyl)amino]-2-methylpropanoic acid
CID 65206183
4-ethyl-N-[2-(methylamino)propyl]thiadiazole-5-carboxamide
CID 120831305
2-amino-N-[2-(3-chlorophenyl)-2-hydroxyethyl]acetamide;hydrochloride
CID 119287112
N-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-4-ethylthiadiazole-5-carboxamide
CID 43045040
N-[(2S)-2-(dimethylamino)-2-(4-methylphenyl)ethyl]-4-ethylthiadiazole-5-carboxamide
CID 94812061
N-[(2R)-2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-4-ethylthiadiazole-5-carboxamide
CID 51864652
N-[(3-acetamidophenyl)methyl]-4-ethylthiadiazole-5-carboxamide
CID 39573959

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-2-(3-chlorophenyl)-2-hydroxyethyl]-4-ethylthiadiazole-5-carboxamide?
The IUPAC name of N-[(2R)-2-(3-chlorophenyl)-2-hydroxyethyl]-4-ethylthiadiazole-5-carboxamide (CID 94023467) is N-[(2R)-2-(3-chlorophenyl)-2-hydroxyethyl]-4-ethylthiadiazole-5-carboxamide.
What is the SMILES notation for N-[(2R)-2-(3-chlorophenyl)-2-hydroxyethyl]-4-ethylthiadiazole-5-carboxamide?
The canonical SMILES for N-[(2R)-2-(3-chlorophenyl)-2-hydroxyethyl]-4-ethylthiadiazole-5-carboxamide is CCc1nnsc1C(=O)NC[C@H](O)c1cccc(Cl)c1.
What is the InChIKey of N-[(2R)-2-(3-chlorophenyl)-2-hydroxyethyl]-4-ethylthiadiazole-5-carboxamide?
The InChIKey is KZHGLXKJBRRAGS-NSHDSACASA-N. The full InChI is InChI=1S/C13H14ClN3O2S/c1-2-10-12(20-17-16-10)13(19)15-7-11(18)8-4-3-5-9(14)6-8/h3-6,11,18H,2,7H2,1H3,(H,15,19)/t11-/m0/s1.
What are the key properties of N-[(2R)-2-(3-chlorophenyl)-2-hydroxyethyl]-4-ethylthiadiazole-5-carboxamide?
N-[(2R)-2-(3-chlorophenyl)-2-hydroxyethyl]-4-ethylthiadiazole-5-carboxamide has a molecular weight of 311.79 g/mol, XLogP of 2.22, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-2-(3-chlorophenyl)-2-hydroxyethyl]-4-ethylthiadiazole-5-carboxamide is sourced from PubChem (CID 94023467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).