(2R,3S)-2-methyl-N-[4-(thiadiazol-4-yl)phenyl]morpholine-3-carboxamide;hydrochloride

C14H17ClN4O2S — CID 120924476

IUPAC(2R,3S)-2-methyl-N-[4-(thiadiazol-4-yl)phenyl]morpholine-3-carboxamide;hydrochloride
SMILESC[C@H]1OCCN[C@@H]1C(=O)Nc1ccc(-c2csnn2)cc1.Cl
InChIInChI=1S/C14H16N4O2S.ClH/c1-9-13(15-6-7-20-9)14(19)16-11-4-2-10(3-5-11)12-8-21-18-17-12;/h2-5,8-9,13,15H,6-7H2,1H3,(H,16,19);1H/t9-,13+;/m1./s1
InChIKeyMWFJJBGZPZNSJS-XVUIFDSFSA-N
MW340.84 g/mol
LogP1.94
Rot. Bonds3

About (2R,3S)-2-methyl-N-[4-(thiadiazol-4-yl)phenyl]morpholine-3-carboxamide;hydrochloride

(2R,3S)-2-methyl-N-[4-(thiadiazol-4-yl)phenyl]morpholine-3-carboxamide;hydrochloride (PubChem CID 120924476) has the molecular formula C14H17ClN4O2S and a molecular weight of 340.84 g/mol. Its IUPAC name is (2R,3S)-2-methyl-N-[4-(thiadiazol-4-yl)phenyl]morpholine-3-carboxamide;hydrochloride.

Molecular Properties

Compound Name(2R,3S)-2-methyl-N-[4-(thiadiazol-4-yl)phenyl]morpholine-3-carboxamide;hydrochloride
PubChem CID120924476
Molecular FormulaC14H17ClN4O2S
Molecular Weight340.84 g/mol
Exact Mass340.08
IUPAC Name(2R,3S)-2-methyl-N-[4-(thiadiazol-4-yl)phenyl]morpholine-3-carboxamide;hydrochloride
SMILESC[C@H]1OCCN[C@@H]1C(=O)Nc1ccc(-c2csnn2)cc1.Cl
InChIInChI=1S/C14H16N4O2S.ClH/c1-9-13(15-6-7-20-9)14(19)16-11-4-2-10(3-5-11)12-8-21-18-17-12;/h2-5,8-9,13,15H,6-7H2,1H3,(H,16,19);1H/t9-,13+;/m1./s1
InChIKeyMWFJJBGZPZNSJS-XVUIFDSFSA-N
XLogP1.94
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.84
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

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(2R,3S)-N-(4-acetamidophenyl)-2-methylmorpholine-3-carboxamide
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(2R,3S)-N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-2-methylmorpholine-3-carboxamide
CID 120917971
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CID 120939459
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(2R,3S)-2-methyl-N-[4-(propan-2-ylcarbamoylamino)phenyl]morpholine-3-carboxamide
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(2R,3S)-N-[4-(cyclopropylcarbamoyl)phenyl]-2-methylmorpholine-3-carboxamide;hydrochloride
CID 120920522
(2R,3S)-N-[4-(difluoromethoxy)phenyl]-2-methylmorpholine-3-carboxamide;hydrochloride
CID 120917827
N-[4-(thiadiazol-4-yl)phenyl]-1,2,3,4-tetrahydroisoquinoline-1-carboxamide;hydrochloride
CID 86780202
(2R,3S)-N-[4-(3-amino-3-oxopropoxy)phenyl]-2-methylmorpholine-3-carboxamide;hydrochloride
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Frequently Asked Questions

What is the IUPAC name of (2R,3S)-2-methyl-N-[4-(thiadiazol-4-yl)phenyl]morpholine-3-carboxamide;hydrochloride?
The IUPAC name of (2R,3S)-2-methyl-N-[4-(thiadiazol-4-yl)phenyl]morpholine-3-carboxamide;hydrochloride (CID 120924476) is (2R,3S)-2-methyl-N-[4-(thiadiazol-4-yl)phenyl]morpholine-3-carboxamide;hydrochloride.
What is the SMILES notation for (2R,3S)-2-methyl-N-[4-(thiadiazol-4-yl)phenyl]morpholine-3-carboxamide;hydrochloride?
The canonical SMILES for (2R,3S)-2-methyl-N-[4-(thiadiazol-4-yl)phenyl]morpholine-3-carboxamide;hydrochloride is C[C@H]1OCCN[C@@H]1C(=O)Nc1ccc(-c2csnn2)cc1.Cl.
What is the InChIKey of (2R,3S)-2-methyl-N-[4-(thiadiazol-4-yl)phenyl]morpholine-3-carboxamide;hydrochloride?
The InChIKey is MWFJJBGZPZNSJS-XVUIFDSFSA-N. The full InChI is InChI=1S/C14H16N4O2S.ClH/c1-9-13(15-6-7-20-9)14(19)16-11-4-2-10(3-5-11)12-8-21-18-17-12;/h2-5,8-9,13,15H,6-7H2,1H3,(H,16,19);1H/t9-,13+;/m1./s1.
What are the key properties of (2R,3S)-2-methyl-N-[4-(thiadiazol-4-yl)phenyl]morpholine-3-carboxamide;hydrochloride?
(2R,3S)-2-methyl-N-[4-(thiadiazol-4-yl)phenyl]morpholine-3-carboxamide;hydrochloride has a molecular weight of 340.84 g/mol, XLogP of 1.94, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-2-methyl-N-[4-(thiadiazol-4-yl)phenyl]morpholine-3-carboxamide;hydrochloride is sourced from PubChem (CID 120924476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).