N-[(1S)-2-(cyclohexylamino)-2-oxo-1-pyridin-4-ylethyl]-N-(2-methylphenyl)thiadiazole-4-carboxamide

C23H25N5O2S — CID 25410205

IUPACN-[(1S)-2-(cyclohexylamino)-2-oxo-1-pyridin-4-ylethyl]-N-(2-methylphenyl)thiadiazole-4-carboxamide
SMILESCc1ccccc1N(C(=O)c1csnn1)[C@H](C(=O)NC1CCCCC1)c1ccncc1
InChIInChI=1S/C23H25N5O2S/c1-16-7-5-6-10-20(16)28(23(30)19-15-31-27-26-19)21(17-11-13-24-14-12-17)22(29)25-18-8-3-2-4-9-18/h5-7,10-15,18,21H,2-4,8-9H2,1H3,(H,25,29)/t21-/m0/s1
InChIKeyVUXHMFSWDLVZNQ-NRFANRHFSA-N
MW435.55 g/mol
LogP4.08
Rot. Bonds6

About N-[(1S)-2-(cyclohexylamino)-2-oxo-1-pyridin-4-ylethyl]-N-(2-methylphenyl)thiadiazole-4-carboxamide

N-[(1S)-2-(cyclohexylamino)-2-oxo-1-pyridin-4-ylethyl]-N-(2-methylphenyl)thiadiazole-4-carboxamide (PubChem CID 25410205) has the molecular formula C23H25N5O2S and a molecular weight of 435.55 g/mol. Its IUPAC name is N-[(1S)-2-(cyclohexylamino)-2-oxo-1-pyridin-4-ylethyl]-N-(2-methylphenyl)thiadiazole-4-carboxamide.

Molecular Properties

Compound NameN-[(1S)-2-(cyclohexylamino)-2-oxo-1-pyridin-4-ylethyl]-N-(2-methylphenyl)thiadiazole-4-carboxamide
PubChem CID25410205
Molecular FormulaC23H25N5O2S
Molecular Weight435.55 g/mol
Exact Mass435.17
IUPAC NameN-[(1S)-2-(cyclohexylamino)-2-oxo-1-pyridin-4-ylethyl]-N-(2-methylphenyl)thiadiazole-4-carboxamide
SMILESCc1ccccc1N(C(=O)c1csnn1)[C@H](C(=O)NC1CCCCC1)c1ccncc1
InChIInChI=1S/C23H25N5O2S/c1-16-7-5-6-10-20(16)28(23(30)19-15-31-27-26-19)21(17-11-13-24-14-12-17)22(29)25-18-8-3-2-4-9-18/h5-7,10-15,18,21H,2-4,8-9H2,1H3,(H,25,29)/t21-/m0/s1
InChIKeyVUXHMFSWDLVZNQ-NRFANRHFSA-N
XLogP4.08
TPSA88.08 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.55
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(1R)-2-(cyclopentylamino)-2-oxo-1-phenylethyl]-N-(2-methylphenyl)thiadiazole-4-carboxamide
CID 7404338
N-[2-(cyclopentylamino)-2-oxo-1-pyridin-4-ylethyl]-N-(2,5-dimethylphenyl)thiadiazole-4-carboxamide
CID 3219264
N-[2-(cyclohexylamino)-2-oxo-1-thiophen-2-ylethyl]-N-(2-methylphenyl)thiadiazole-4-carboxamide
CID 3219198
N-[(1S)-2-(cyclopentylamino)-2-oxo-1-phenylethyl]-N-(2,5-dimethylphenyl)thiadiazole-4-carboxamide
CID 25410432
N-[2-(cyclohexylamino)-2-oxo-1-pyridin-4-ylethyl]-N-(3-ethylphenyl)thiadiazole-4-carboxamide
CID 3222586
N-[2-(cyclopentylamino)-2-oxo-1-phenylethyl]-N-(2,4,6-trimethylphenyl)thiadiazole-4-carboxamide
CID 3219361
N-[(1S)-2-(cyclopentylamino)-2-oxo-1-phenylethyl]-N-(2,4,6-trimethylphenyl)thiadiazole-4-carboxamide
CID 1467656
N-[(1R)-2-(cyclopentylamino)-2-oxo-1-pyridin-4-ylethyl]-N-(4-ethylphenyl)thiadiazole-4-carboxamide
CID 40573587
N-[2-(cyclohexylamino)-2-oxo-1-phenylethyl]-N-(3-methylphenyl)thiadiazole-4-carboxamide
CID 3219206
N-[2-(cyclohexylamino)-1-(furan-2-yl)-2-oxoethyl]-N-(2,3-dimethylphenyl)thiadiazole-4-carboxamide
CID 43815579
N-[(1R)-2-(cyclopentylamino)-1-(5-methylfuran-2-yl)-2-oxoethyl]-N-(2,3-dimethylphenyl)thiadiazole-4-carboxamide
CID 1452161
N-[2-(cyclopentylamino)-1-[4-(dimethylamino)phenyl]-2-oxoethyl]-N-phenylthiadiazole-4-carboxamide
CID 3221783

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-2-(cyclohexylamino)-2-oxo-1-pyridin-4-ylethyl]-N-(2-methylphenyl)thiadiazole-4-carboxamide?
The IUPAC name of N-[(1S)-2-(cyclohexylamino)-2-oxo-1-pyridin-4-ylethyl]-N-(2-methylphenyl)thiadiazole-4-carboxamide (CID 25410205) is N-[(1S)-2-(cyclohexylamino)-2-oxo-1-pyridin-4-ylethyl]-N-(2-methylphenyl)thiadiazole-4-carboxamide.
What is the SMILES notation for N-[(1S)-2-(cyclohexylamino)-2-oxo-1-pyridin-4-ylethyl]-N-(2-methylphenyl)thiadiazole-4-carboxamide?
The canonical SMILES for N-[(1S)-2-(cyclohexylamino)-2-oxo-1-pyridin-4-ylethyl]-N-(2-methylphenyl)thiadiazole-4-carboxamide is Cc1ccccc1N(C(=O)c1csnn1)[C@H](C(=O)NC1CCCCC1)c1ccncc1.
What is the InChIKey of N-[(1S)-2-(cyclohexylamino)-2-oxo-1-pyridin-4-ylethyl]-N-(2-methylphenyl)thiadiazole-4-carboxamide?
The InChIKey is VUXHMFSWDLVZNQ-NRFANRHFSA-N. The full InChI is InChI=1S/C23H25N5O2S/c1-16-7-5-6-10-20(16)28(23(30)19-15-31-27-26-19)21(17-11-13-24-14-12-17)22(29)25-18-8-3-2-4-9-18/h5-7,10-15,18,21H,2-4,8-9H2,1H3,(H,25,29)/t21-/m0/s1.
What are the key properties of N-[(1S)-2-(cyclohexylamino)-2-oxo-1-pyridin-4-ylethyl]-N-(2-methylphenyl)thiadiazole-4-carboxamide?
N-[(1S)-2-(cyclohexylamino)-2-oxo-1-pyridin-4-ylethyl]-N-(2-methylphenyl)thiadiazole-4-carboxamide has a molecular weight of 435.55 g/mol, XLogP of 4.08, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-2-(cyclohexylamino)-2-oxo-1-pyridin-4-ylethyl]-N-(2-methylphenyl)thiadiazole-4-carboxamide is sourced from PubChem (CID 25410205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).