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

C16H21ClN4O2S — CID 119777279

IUPACN-[5-(2-phenylpropan-2-yl)-1,3,4-thiadiazol-2-yl]morpholine-2-carboxamide;hydrochloride
SMILESCC(C)(c1ccccc1)c1nnc(NC(=O)C2CNCCO2)s1.Cl
InChIInChI=1S/C16H20N4O2S.ClH/c1-16(2,11-6-4-3-5-7-11)14-19-20-15(23-14)18-13(21)12-10-17-8-9-22-12;/h3-7,12,17H,8-10H2,1-2H3,(H,18,20,21);1H
InChIKeyBLLPWARBOSQCIZ-UHFFFAOYSA-N
MW368.89 g/mol
LogP2.21
Rot. Bonds4

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

N-[5-(2-phenylpropan-2-yl)-1,3,4-thiadiazol-2-yl]morpholine-2-carboxamide;hydrochloride (PubChem CID 119777279) has the molecular formula C16H21ClN4O2S and a molecular weight of 368.89 g/mol. Its IUPAC name is N-[5-(2-phenylpropan-2-yl)-1,3,4-thiadiazol-2-yl]morpholine-2-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[5-(2-phenylpropan-2-yl)-1,3,4-thiadiazol-2-yl]morpholine-2-carboxamide;hydrochloride
PubChem CID119777279
Molecular FormulaC16H21ClN4O2S
Molecular Weight368.89 g/mol
Exact Mass368.11
IUPAC NameN-[5-(2-phenylpropan-2-yl)-1,3,4-thiadiazol-2-yl]morpholine-2-carboxamide;hydrochloride
SMILESCC(C)(c1ccccc1)c1nnc(NC(=O)C2CNCCO2)s1.Cl
InChIInChI=1S/C16H20N4O2S.ClH/c1-16(2,11-6-4-3-5-7-11)14-19-20-15(23-14)18-13(21)12-10-17-8-9-22-12;/h3-7,12,17H,8-10H2,1-2H3,(H,18,20,21);1H
InChIKeyBLLPWARBOSQCIZ-UHFFFAOYSA-N
XLogP2.21
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.89
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[5-(2-phenylpropan-2-yl)-1,3,4-thiadiazol-2-yl]morpholine-2-carboxamide;hydrochloride?
The IUPAC name of N-[5-(2-phenylpropan-2-yl)-1,3,4-thiadiazol-2-yl]morpholine-2-carboxamide;hydrochloride (CID 119777279) is N-[5-(2-phenylpropan-2-yl)-1,3,4-thiadiazol-2-yl]morpholine-2-carboxamide;hydrochloride.
What is the SMILES notation for N-[5-(2-phenylpropan-2-yl)-1,3,4-thiadiazol-2-yl]morpholine-2-carboxamide;hydrochloride?
The canonical SMILES for N-[5-(2-phenylpropan-2-yl)-1,3,4-thiadiazol-2-yl]morpholine-2-carboxamide;hydrochloride is CC(C)(c1ccccc1)c1nnc(NC(=O)C2CNCCO2)s1.Cl.
What is the InChIKey of N-[5-(2-phenylpropan-2-yl)-1,3,4-thiadiazol-2-yl]morpholine-2-carboxamide;hydrochloride?
The InChIKey is BLLPWARBOSQCIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O2S.ClH/c1-16(2,11-6-4-3-5-7-11)14-19-20-15(23-14)18-13(21)12-10-17-8-9-22-12;/h3-7,12,17H,8-10H2,1-2H3,(H,18,20,21);1H.
What are the key properties of N-[5-(2-phenylpropan-2-yl)-1,3,4-thiadiazol-2-yl]morpholine-2-carboxamide;hydrochloride?
N-[5-(2-phenylpropan-2-yl)-1,3,4-thiadiazol-2-yl]morpholine-2-carboxamide;hydrochloride has a molecular weight of 368.89 g/mol, XLogP of 2.21, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(2-phenylpropan-2-yl)-1,3,4-thiadiazol-2-yl]morpholine-2-carboxamide;hydrochloride is sourced from PubChem (CID 119777279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).