N-[(2S)-2-(4-tert-butylphenyl)-2-morpholin-4-ylethyl]thiadiazole-4-carboxamide

C19H26N4O2S — CID 39730206

IUPACN-[(2S)-2-(4-tert-butylphenyl)-2-morpholin-4-ylethyl]thiadiazole-4-carboxamide
SMILESCC(C)(C)c1ccc([C@@H](CNC(=O)c2csnn2)N2CCOCC2)cc1
InChIInChI=1S/C19H26N4O2S/c1-19(2,3)15-6-4-14(5-7-15)17(23-8-10-25-11-9-23)12-20-18(24)16-13-26-22-21-16/h4-7,13,17H,8-12H2,1-3H3,(H,20,24)/t17-/m1/s1
InChIKeySOXBKGXHSCAHFF-QGZVFWFLSA-N
MW374.51 g/mol
LogP2.64
Rot. Bonds5

About N-[(2S)-2-(4-tert-butylphenyl)-2-morpholin-4-ylethyl]thiadiazole-4-carboxamide

N-[(2S)-2-(4-tert-butylphenyl)-2-morpholin-4-ylethyl]thiadiazole-4-carboxamide (PubChem CID 39730206) has the molecular formula C19H26N4O2S and a molecular weight of 374.51 g/mol. Its IUPAC name is N-[(2S)-2-(4-tert-butylphenyl)-2-morpholin-4-ylethyl]thiadiazole-4-carboxamide.

Molecular Properties

Compound NameN-[(2S)-2-(4-tert-butylphenyl)-2-morpholin-4-ylethyl]thiadiazole-4-carboxamide
PubChem CID39730206
Molecular FormulaC19H26N4O2S
Molecular Weight374.51 g/mol
Exact Mass374.18
IUPAC NameN-[(2S)-2-(4-tert-butylphenyl)-2-morpholin-4-ylethyl]thiadiazole-4-carboxamide
SMILESCC(C)(C)c1ccc([C@@H](CNC(=O)c2csnn2)N2CCOCC2)cc1
InChIInChI=1S/C19H26N4O2S/c1-19(2,3)15-6-4-14(5-7-15)17(23-8-10-25-11-9-23)12-20-18(24)16-13-26-22-21-16/h4-7,13,17H,8-12H2,1-3H3,(H,20,24)/t17-/m1/s1
InChIKeySOXBKGXHSCAHFF-QGZVFWFLSA-N
XLogP2.64
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.51
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(2R)-2-(4-tert-butylphenyl)-2-morpholin-4-ylethyl]-5-(3,4-dimethylphenyl)-1,2-oxazole-3-carboxamide
CID 39867348
N-[2-(4-tert-butylphenyl)-2-morpholin-4-ylethyl]-2-(2-methoxyphenoxy)acetamide
CID 45155088
4-tert-butyl-N-[3-[[(2S)-2-(4-fluorophenyl)-2-morpholin-4-ylethyl]amino]-3-oxopropyl]benzamide
CID 27810065
4-methyl-N-[(2R)-2-(4-methylphenyl)-2-morpholin-4-ylethyl]benzamide
CID 30834547
N-[(2R)-2-(4-tert-butylphenyl)-2-morpholin-4-ylethyl]-6,8-dimethyl-4-oxochromene-2-carboxamide
CID 35577753
4-methyl-N-[(2R)-2-morpholin-4-yl-2-phenylethyl]thiadiazole-5-carboxamide
CID 39730184
N-[(2S)-2-(4-methylphenyl)-2-morpholin-4-ylethyl]-4-(trifluoromethyl)benzamide
CID 51641243
4-tert-butyl-N-[(2S)-2-(1-methyl-2,3-dihydroindol-5-yl)-2-morpholin-4-ylethyl]benzamide
CID 30575716
4-tert-butyl-N-[(2R)-2-(1-methyl-2,3-dihydroindol-5-yl)-2-morpholin-4-ylethyl]benzamide
CID 30575720
N-[2-(4-tert-butylphenyl)-2-morpholin-4-ylethyl]-5-fluoro-3-methyl-1-benzofuran-2-carboxamide
CID 45155245
N-[2-(4-tert-butylphenyl)-2-morpholin-4-ylethyl]-6-chloro-7-methyl-4-oxochromene-2-carboxamide
CID 45155229
2-(2-aminoethyl)-N-[2-(4-methylphenyl)-2-morpholin-4-ylethyl]-1,3-thiazole-4-carboxamide
CID 120644919

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-2-(4-tert-butylphenyl)-2-morpholin-4-ylethyl]thiadiazole-4-carboxamide?
The IUPAC name of N-[(2S)-2-(4-tert-butylphenyl)-2-morpholin-4-ylethyl]thiadiazole-4-carboxamide (CID 39730206) is N-[(2S)-2-(4-tert-butylphenyl)-2-morpholin-4-ylethyl]thiadiazole-4-carboxamide.
What is the SMILES notation for N-[(2S)-2-(4-tert-butylphenyl)-2-morpholin-4-ylethyl]thiadiazole-4-carboxamide?
The canonical SMILES for N-[(2S)-2-(4-tert-butylphenyl)-2-morpholin-4-ylethyl]thiadiazole-4-carboxamide is CC(C)(C)c1ccc([C@@H](CNC(=O)c2csnn2)N2CCOCC2)cc1.
What is the InChIKey of N-[(2S)-2-(4-tert-butylphenyl)-2-morpholin-4-ylethyl]thiadiazole-4-carboxamide?
The InChIKey is SOXBKGXHSCAHFF-QGZVFWFLSA-N. The full InChI is InChI=1S/C19H26N4O2S/c1-19(2,3)15-6-4-14(5-7-15)17(23-8-10-25-11-9-23)12-20-18(24)16-13-26-22-21-16/h4-7,13,17H,8-12H2,1-3H3,(H,20,24)/t17-/m1/s1.
What are the key properties of N-[(2S)-2-(4-tert-butylphenyl)-2-morpholin-4-ylethyl]thiadiazole-4-carboxamide?
N-[(2S)-2-(4-tert-butylphenyl)-2-morpholin-4-ylethyl]thiadiazole-4-carboxamide has a molecular weight of 374.51 g/mol, XLogP of 2.64, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-2-(4-tert-butylphenyl)-2-morpholin-4-ylethyl]thiadiazole-4-carboxamide is sourced from PubChem (CID 39730206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).