N-[4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]phenyl]morpholine-3-carboxamide;hydrochloride

C14H18ClN5O2S — CID 119698805

IUPACN-[4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]phenyl]morpholine-3-carboxamide;hydrochloride
SMILESCl.Cn1cnnc1Sc1ccc(NC(=O)C2COCCN2)cc1
InChIInChI=1S/C14H17N5O2S.ClH/c1-19-9-16-18-14(19)22-11-4-2-10(3-5-11)17-13(20)12-8-21-7-6-15-12;/h2-5,9,12,15H,6-8H2,1H3,(H,17,20);1H
InChIKeySLYLYEMQOHETKO-UHFFFAOYSA-N
MW355.85 g/mol
LogP1.32
Rot. Bonds4

About N-[4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]phenyl]morpholine-3-carboxamide;hydrochloride

N-[4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]phenyl]morpholine-3-carboxamide;hydrochloride (PubChem CID 119698805) has the molecular formula C14H18ClN5O2S and a molecular weight of 355.85 g/mol. Its IUPAC name is N-[4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]phenyl]morpholine-3-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]phenyl]morpholine-3-carboxamide;hydrochloride
PubChem CID119698805
Molecular FormulaC14H18ClN5O2S
Molecular Weight355.85 g/mol
Exact Mass355.09
IUPAC NameN-[4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]phenyl]morpholine-3-carboxamide;hydrochloride
SMILESCl.Cn1cnnc1Sc1ccc(NC(=O)C2COCCN2)cc1
InChIInChI=1S/C14H17N5O2S.ClH/c1-19-9-16-18-14(19)22-11-4-2-10(3-5-11)17-13(20)12-8-21-7-6-15-12;/h2-5,9,12,15H,6-8H2,1H3,(H,17,20);1H
InChIKeySLYLYEMQOHETKO-UHFFFAOYSA-N
XLogP1.32
TPSA81.07 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.85
LogP ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-[4-(1-methylimidazol-2-yl)sulfanylphenyl]morpholine-3-carboxamide
CID 119698985
N-[4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]phenyl]piperidine-3-carboxamide;hydrochloride
CID 119276218
2-amino-N-[4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]phenyl]-2-(oxan-4-yl)acetamide;hydrochloride
CID 120785169
N-[4-(2-methylpropanoylamino)phenyl]morpholine-3-carboxamide;hydrochloride
CID 119685241
N-(3,4-dimethylphenyl)morpholine-3-carboxamide;hydrochloride
CID 119670622
(3S)-N-[4-(4,5-dimethylimidazol-1-yl)phenyl]morpholine-3-carboxamide
CID 166299163
2-(1-adamantyl)-N-[4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]phenyl]acetamide
CID 166191233
N-[4-(2-methyl-1,3-oxazol-5-yl)phenyl]morpholine-3-carboxamide;hydrochloride
CID 119704465
N-[3-chloro-4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]phenyl]pyrrolidine-2-carboxamide
CID 119310193
N-[4-(propylsulfonylamino)phenyl]morpholine-3-carboxamide
CID 119754209
N-(3,4-dimethoxyphenyl)morpholine-3-carboxamide;hydrochloride
CID 119673632
N-[4-(azepan-1-ylmethyl)phenyl]morpholine-3-carboxamide;dihydrochloride
CID 119867908

Frequently Asked Questions

What is the IUPAC name of N-[4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]phenyl]morpholine-3-carboxamide;hydrochloride?
The IUPAC name of N-[4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]phenyl]morpholine-3-carboxamide;hydrochloride (CID 119698805) is N-[4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]phenyl]morpholine-3-carboxamide;hydrochloride.
What is the SMILES notation for N-[4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]phenyl]morpholine-3-carboxamide;hydrochloride?
The canonical SMILES for N-[4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]phenyl]morpholine-3-carboxamide;hydrochloride is Cl.Cn1cnnc1Sc1ccc(NC(=O)C2COCCN2)cc1.
What is the InChIKey of N-[4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]phenyl]morpholine-3-carboxamide;hydrochloride?
The InChIKey is SLYLYEMQOHETKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N5O2S.ClH/c1-19-9-16-18-14(19)22-11-4-2-10(3-5-11)17-13(20)12-8-21-7-6-15-12;/h2-5,9,12,15H,6-8H2,1H3,(H,17,20);1H.
What are the key properties of N-[4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]phenyl]morpholine-3-carboxamide;hydrochloride?
N-[4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]phenyl]morpholine-3-carboxamide;hydrochloride has a molecular weight of 355.85 g/mol, XLogP of 1.32, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]phenyl]morpholine-3-carboxamide;hydrochloride is sourced from PubChem (CID 119698805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).