N-cyclohexyl-N-[2-oxo-2-(2-phenylethylamino)-1-pyridin-2-ylethyl]thiadiazole-4-carboxamide

C24H27N5O2S — CID 3222462

IUPACN-cyclohexyl-N-[2-oxo-2-(2-phenylethylamino)-1-pyridin-2-ylethyl]thiadiazole-4-carboxamide
SMILESO=C(NCCc1ccccc1)C(c1ccccn1)N(C(=O)c1csnn1)C1CCCCC1
InChIInChI=1S/C24H27N5O2S/c30-23(26-16-14-18-9-3-1-4-10-18)22(20-13-7-8-15-25-20)29(19-11-5-2-6-12-19)24(31)21-17-32-28-27-21/h1,3-4,7-10,13,15,17,19,22H,2,5-6,11-12,14,16H2,(H,26,30)
InChIKeySGCLCIOEDWARHW-UHFFFAOYSA-N
MW449.58 g/mol
LogP3.81
Rot. Bonds8

About N-cyclohexyl-N-[2-oxo-2-(2-phenylethylamino)-1-pyridin-2-ylethyl]thiadiazole-4-carboxamide

N-cyclohexyl-N-[2-oxo-2-(2-phenylethylamino)-1-pyridin-2-ylethyl]thiadiazole-4-carboxamide (PubChem CID 3222462) has the molecular formula C24H27N5O2S and a molecular weight of 449.58 g/mol. Its IUPAC name is N-cyclohexyl-N-[2-oxo-2-(2-phenylethylamino)-1-pyridin-2-ylethyl]thiadiazole-4-carboxamide.

Molecular Properties

Compound NameN-cyclohexyl-N-[2-oxo-2-(2-phenylethylamino)-1-pyridin-2-ylethyl]thiadiazole-4-carboxamide
PubChem CID3222462
Molecular FormulaC24H27N5O2S
Molecular Weight449.58 g/mol
Exact Mass449.19
IUPAC NameN-cyclohexyl-N-[2-oxo-2-(2-phenylethylamino)-1-pyridin-2-ylethyl]thiadiazole-4-carboxamide
SMILESO=C(NCCc1ccccc1)C(c1ccccn1)N(C(=O)c1csnn1)C1CCCCC1
InChIInChI=1S/C24H27N5O2S/c30-23(26-16-14-18-9-3-1-4-10-18)22(20-13-7-8-15-25-20)29(19-11-5-2-6-12-19)24(31)21-17-32-28-27-21/h1,3-4,7-10,13,15,17,19,22H,2,5-6,11-12,14,16H2,(H,26,30)
InChIKeySGCLCIOEDWARHW-UHFFFAOYSA-N
XLogP3.81
TPSA88.08 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.58
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-(tert-butylamino)-2-oxo-1-pyridin-2-ylethyl]-N-cyclopentylthiadiazole-4-carboxamide
CID 3222430
N-cyclopropyl-N-[(1R)-1-(4-methylphenyl)-2-oxo-2-(2-phenylethylamino)ethyl]thiadiazole-4-carboxamide
CID 7434990
N-cyclopropyl-N-[(1R)-1-(5-methylfuran-2-yl)-2-oxo-2-(2-phenylethylamino)ethyl]thiadiazole-4-carboxamide
CID 7205524
N-cyclopropyl-N-[2-[(4-fluorophenyl)methylamino]-2-oxo-1-pyridin-2-ylethyl]thiadiazole-4-carboxamide
CID 43815608
N-[2-(cyclohexylamino)-1-(4-ethylphenyl)-2-oxoethyl]-N-cyclopropylthiadiazole-4-carboxamide
CID 3219469
N-[(1R)-2-(benzylamino)-2-oxo-1-pyridin-2-ylethyl]-N-(4-methylphenyl)thiadiazole-4-carboxamide
CID 51552663
N-[(1S)-2-(benzylamino)-2-oxo-1-pyridin-2-ylethyl]-N-(4-methylphenyl)thiadiazole-4-carboxamide
CID 51552664
N-cyclohexyl-N-[2-(2,2-difluoroethylamino)-2-oxo-1-pyridin-2-ylethyl]benzamide
CID 166342313
N-benzyl-N-[(1R)-2-(cyclopentylamino)-2-oxo-1-phenylethyl]thiadiazole-4-carboxamide
CID 7434931
N-[(1S)-2-(benzylamino)-2-oxo-1-pyridin-2-ylethyl]-N-(4-fluorophenyl)thiadiazole-4-carboxamide
CID 51552912
N-[2-(cyclopentylamino)-2-oxo-1-pyridin-2-ylethyl]-N-(3,5-dimethylphenyl)thiadiazole-4-carboxamide
CID 3221927
N-[(1S)-2-(cyclohexylamino)-1-(4-methylphenyl)-2-oxoethyl]-N-cyclopropylthiadiazole-4-carboxamide
CID 1467718

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-N-[2-oxo-2-(2-phenylethylamino)-1-pyridin-2-ylethyl]thiadiazole-4-carboxamide?
The IUPAC name of N-cyclohexyl-N-[2-oxo-2-(2-phenylethylamino)-1-pyridin-2-ylethyl]thiadiazole-4-carboxamide (CID 3222462) is N-cyclohexyl-N-[2-oxo-2-(2-phenylethylamino)-1-pyridin-2-ylethyl]thiadiazole-4-carboxamide.
What is the SMILES notation for N-cyclohexyl-N-[2-oxo-2-(2-phenylethylamino)-1-pyridin-2-ylethyl]thiadiazole-4-carboxamide?
The canonical SMILES for N-cyclohexyl-N-[2-oxo-2-(2-phenylethylamino)-1-pyridin-2-ylethyl]thiadiazole-4-carboxamide is O=C(NCCc1ccccc1)C(c1ccccn1)N(C(=O)c1csnn1)C1CCCCC1.
What is the InChIKey of N-cyclohexyl-N-[2-oxo-2-(2-phenylethylamino)-1-pyridin-2-ylethyl]thiadiazole-4-carboxamide?
The InChIKey is SGCLCIOEDWARHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N5O2S/c30-23(26-16-14-18-9-3-1-4-10-18)22(20-13-7-8-15-25-20)29(19-11-5-2-6-12-19)24(31)21-17-32-28-27-21/h1,3-4,7-10,13,15,17,19,22H,2,5-6,11-12,14,16H2,(H,26,30).
What are the key properties of N-cyclohexyl-N-[2-oxo-2-(2-phenylethylamino)-1-pyridin-2-ylethyl]thiadiazole-4-carboxamide?
N-cyclohexyl-N-[2-oxo-2-(2-phenylethylamino)-1-pyridin-2-ylethyl]thiadiazole-4-carboxamide has a molecular weight of 449.58 g/mol, XLogP of 3.81, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-N-[2-oxo-2-(2-phenylethylamino)-1-pyridin-2-ylethyl]thiadiazole-4-carboxamide is sourced from PubChem (CID 3222462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).