N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]morpholine-2-carboxamide;hydrochloride

C11H19ClN4O2S — CID 119677071

IUPACN-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]morpholine-2-carboxamide;hydrochloride
SMILESCC(C)Cc1nnc(NC(=O)C2CNCCO2)s1.Cl
InChIInChI=1S/C11H18N4O2S.ClH/c1-7(2)5-9-14-15-11(18-9)13-10(16)8-6-12-3-4-17-8;/h7-8,12H,3-6H2,1-2H3,(H,13,15,16);1H
InChIKeyMZICEFZZGMFXFQ-UHFFFAOYSA-N
MW306.82 g/mol
LogP1.09
Rot. Bonds4

About N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]morpholine-2-carboxamide;hydrochloride

N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]morpholine-2-carboxamide;hydrochloride (PubChem CID 119677071) has the molecular formula C11H19ClN4O2S and a molecular weight of 306.82 g/mol. Its IUPAC name is N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]morpholine-2-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]morpholine-2-carboxamide;hydrochloride
PubChem CID119677071
Molecular FormulaC11H19ClN4O2S
Molecular Weight306.82 g/mol
Exact Mass306.09
IUPAC NameN-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]morpholine-2-carboxamide;hydrochloride
SMILESCC(C)Cc1nnc(NC(=O)C2CNCCO2)s1.Cl
InChIInChI=1S/C11H18N4O2S.ClH/c1-7(2)5-9-14-15-11(18-9)13-10(16)8-6-12-3-4-17-8;/h7-8,12H,3-6H2,1-2H3,(H,13,15,16);1H
InChIKeyMZICEFZZGMFXFQ-UHFFFAOYSA-N
XLogP1.09
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.82
LogP ≤ 51.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]morpholine-2-carboxamide;hydrochloride?
The IUPAC name of N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]morpholine-2-carboxamide;hydrochloride (CID 119677071) is N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]morpholine-2-carboxamide;hydrochloride.
What is the SMILES notation for N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]morpholine-2-carboxamide;hydrochloride?
The canonical SMILES for N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]morpholine-2-carboxamide;hydrochloride is CC(C)Cc1nnc(NC(=O)C2CNCCO2)s1.Cl.
What is the InChIKey of N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]morpholine-2-carboxamide;hydrochloride?
The InChIKey is MZICEFZZGMFXFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O2S.ClH/c1-7(2)5-9-14-15-11(18-9)13-10(16)8-6-12-3-4-17-8;/h7-8,12H,3-6H2,1-2H3,(H,13,15,16);1H.
What are the key properties of N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]morpholine-2-carboxamide;hydrochloride?
N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]morpholine-2-carboxamide;hydrochloride has a molecular weight of 306.82 g/mol, XLogP of 1.09, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]morpholine-2-carboxamide;hydrochloride is sourced from PubChem (CID 119677071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).