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

C14H17Cl2N5O2S — CID 119760659

IUPACN-[3-chloro-4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]phenyl]morpholine-2-carboxamide;hydrochloride
SMILESCl.Cn1cnnc1Sc1ccc(NC(=O)C2CNCCO2)cc1Cl
InChIInChI=1S/C14H16ClN5O2S.ClH/c1-20-8-17-19-14(20)23-12-3-2-9(6-10(12)15)18-13(21)11-7-16-4-5-22-11;/h2-3,6,8,11,16H,4-5,7H2,1H3,(H,18,21);1H
InChIKeyOEHUZBJXRZPBSJ-UHFFFAOYSA-N
MW390.30 g/mol
LogP1.97
Rot. Bonds4

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

N-[3-chloro-4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]phenyl]morpholine-2-carboxamide;hydrochloride (PubChem CID 119760659) has the molecular formula C14H17Cl2N5O2S and a molecular weight of 390.30 g/mol. Its IUPAC name is N-[3-chloro-4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]phenyl]morpholine-2-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[3-chloro-4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]phenyl]morpholine-2-carboxamide;hydrochloride
PubChem CID119760659
Molecular FormulaC14H17Cl2N5O2S
Molecular Weight390.30 g/mol
Exact Mass389.05
IUPAC NameN-[3-chloro-4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]phenyl]morpholine-2-carboxamide;hydrochloride
SMILESCl.Cn1cnnc1Sc1ccc(NC(=O)C2CNCCO2)cc1Cl
InChIInChI=1S/C14H16ClN5O2S.ClH/c1-20-8-17-19-14(20)23-12-3-2-9(6-10(12)15)18-13(21)11-7-16-4-5-22-11;/h2-3,6,8,11,16H,4-5,7H2,1H3,(H,18,21);1H
InChIKeyOEHUZBJXRZPBSJ-UHFFFAOYSA-N
XLogP1.97
TPSA81.07 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.30
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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

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Related Compounds

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N-[3-chloro-4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]phenyl]pyrrolidine-2-carboxamide
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(2S,5R)-5-(aminomethyl)-N-[3-chloro-4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]phenyl]oxolane-2-carboxamide
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N-(3-carbamoyl-4-chlorophenyl)morpholine-2-carboxamide;hydrochloride
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2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[3-chloro-4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]phenyl]acetamide
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N-[3-chloro-4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]phenyl]-4-(methylamino)butanamide
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N-[4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]phenyl]piperidine-3-carboxamide;hydrochloride
CID 119276218
N-[3-chloro-4-(pyridin-2-ylmethoxy)phenyl]morpholine-2-carboxamide;dihydrochloride
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Frequently Asked Questions

What is the IUPAC name of N-[3-chloro-4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]phenyl]morpholine-2-carboxamide;hydrochloride?
The IUPAC name of N-[3-chloro-4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]phenyl]morpholine-2-carboxamide;hydrochloride (CID 119760659) is N-[3-chloro-4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]phenyl]morpholine-2-carboxamide;hydrochloride.
What is the SMILES notation for N-[3-chloro-4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]phenyl]morpholine-2-carboxamide;hydrochloride?
The canonical SMILES for N-[3-chloro-4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]phenyl]morpholine-2-carboxamide;hydrochloride is Cl.Cn1cnnc1Sc1ccc(NC(=O)C2CNCCO2)cc1Cl.
What is the InChIKey of N-[3-chloro-4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]phenyl]morpholine-2-carboxamide;hydrochloride?
The InChIKey is OEHUZBJXRZPBSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClN5O2S.ClH/c1-20-8-17-19-14(20)23-12-3-2-9(6-10(12)15)18-13(21)11-7-16-4-5-22-11;/h2-3,6,8,11,16H,4-5,7H2,1H3,(H,18,21);1H.
What are the key properties of N-[3-chloro-4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]phenyl]morpholine-2-carboxamide;hydrochloride?
N-[3-chloro-4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]phenyl]morpholine-2-carboxamide;hydrochloride has a molecular weight of 390.30 g/mol, XLogP of 1.97, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-chloro-4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]phenyl]morpholine-2-carboxamide;hydrochloride is sourced from PubChem (CID 119760659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).