N-(4-ethylphenyl)-N-[2-(2-methylbutan-2-ylamino)-2-oxo-1-pyridin-4-ylethyl]thiadiazole-4-carboxamide

C23H27N5O2S — CID 3221941

IUPACN-(4-ethylphenyl)-N-[2-(2-methylbutan-2-ylamino)-2-oxo-1-pyridin-4-ylethyl]thiadiazole-4-carboxamide
SMILESCCc1ccc(N(C(=O)c2csnn2)C(C(=O)NC(C)(C)CC)c2ccncc2)cc1
InChIInChI=1S/C23H27N5O2S/c1-5-16-7-9-18(10-8-16)28(22(30)19-15-31-27-26-19)20(17-11-13-24-14-12-17)21(29)25-23(3,4)6-2/h7-15,20H,5-6H2,1-4H3,(H,25,29)
InChIKeyKROOCNGXWUBMSZ-UHFFFAOYSA-N
MW437.57 g/mol
LogP4.19
Rot. Bonds8

About N-(4-ethylphenyl)-N-[2-(2-methylbutan-2-ylamino)-2-oxo-1-pyridin-4-ylethyl]thiadiazole-4-carboxamide

N-(4-ethylphenyl)-N-[2-(2-methylbutan-2-ylamino)-2-oxo-1-pyridin-4-ylethyl]thiadiazole-4-carboxamide (PubChem CID 3221941) has the molecular formula C23H27N5O2S and a molecular weight of 437.57 g/mol. Its IUPAC name is N-(4-ethylphenyl)-N-[2-(2-methylbutan-2-ylamino)-2-oxo-1-pyridin-4-ylethyl]thiadiazole-4-carboxamide.

Molecular Properties

Compound NameN-(4-ethylphenyl)-N-[2-(2-methylbutan-2-ylamino)-2-oxo-1-pyridin-4-ylethyl]thiadiazole-4-carboxamide
PubChem CID3221941
Molecular FormulaC23H27N5O2S
Molecular Weight437.57 g/mol
Exact Mass437.19
IUPAC NameN-(4-ethylphenyl)-N-[2-(2-methylbutan-2-ylamino)-2-oxo-1-pyridin-4-ylethyl]thiadiazole-4-carboxamide
SMILESCCc1ccc(N(C(=O)c2csnn2)C(C(=O)NC(C)(C)CC)c2ccncc2)cc1
InChIInChI=1S/C23H27N5O2S/c1-5-16-7-9-18(10-8-16)28(22(30)19-15-31-27-26-19)20(17-11-13-24-14-12-17)21(29)25-23(3,4)6-2/h7-15,20H,5-6H2,1-4H3,(H,25,29)
InChIKeyKROOCNGXWUBMSZ-UHFFFAOYSA-N
XLogP4.19
TPSA88.08 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.57
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(1R)-2-(cyclopentylamino)-2-oxo-1-pyridin-4-ylethyl]-N-(4-ethylphenyl)thiadiazole-4-carboxamide
CID 40573587
N-[(1R)-2-(tert-butylamino)-1-(4-ethylphenyl)-2-oxoethyl]-N-phenylthiadiazole-4-carboxamide
CID 7404334
N-[1-(4-fluorophenyl)-2-(2-methylbutan-2-ylamino)-2-oxoethyl]-N-(4-methylphenyl)thiadiazole-4-carboxamide
CID 3221828
N-(4-methoxyphenyl)-N-[2-(2-methylbutan-2-ylamino)-2-oxo-1-phenylethyl]thiadiazole-4-carboxamide
CID 3222021
N-[2-(tert-butylamino)-1-(4-methylphenyl)-2-oxoethyl]-N-(4-methylphenyl)thiadiazole-4-carboxamide
CID 3219226
N-[1-(furan-2-yl)-2-(2-methylbutan-2-ylamino)-2-oxoethyl]-N-(4-methylphenyl)thiadiazole-4-carboxamide
CID 3221842
N-[2-(cyclohexylamino)-2-oxo-1-pyridin-4-ylethyl]-N-(3-ethylphenyl)thiadiazole-4-carboxamide
CID 3222586
N-[(1S)-2-(cyclopentylamino)-1-(4-ethylphenyl)-2-oxoethyl]-N-phenylthiadiazole-4-carboxamide
CID 25410089
N-[2-(2-methylbutan-2-ylamino)-2-oxo-1-phenylethyl]-N-(pyridin-3-ylmethyl)thiadiazole-4-carboxamide
CID 3222562
N-[2-(tert-butylamino)-2-oxo-1-pyridin-3-ylethyl]-N-(3-ethylphenyl)thiadiazole-4-carboxamide
CID 3222599
N-benzyl-N-[2-(2-methylbutan-2-ylamino)-2-oxo-1-pyridin-3-ylethyl]thiadiazole-4-carboxamide
CID 3222198
N-[(4-fluorophenyl)methyl]-N-[2-(2-methylbutan-2-ylamino)-2-oxo-1-pyridin-3-ylethyl]thiadiazole-4-carboxamide
CID 3222240

Frequently Asked Questions

What is the IUPAC name of N-(4-ethylphenyl)-N-[2-(2-methylbutan-2-ylamino)-2-oxo-1-pyridin-4-ylethyl]thiadiazole-4-carboxamide?
The IUPAC name of N-(4-ethylphenyl)-N-[2-(2-methylbutan-2-ylamino)-2-oxo-1-pyridin-4-ylethyl]thiadiazole-4-carboxamide (CID 3221941) is N-(4-ethylphenyl)-N-[2-(2-methylbutan-2-ylamino)-2-oxo-1-pyridin-4-ylethyl]thiadiazole-4-carboxamide.
What is the SMILES notation for N-(4-ethylphenyl)-N-[2-(2-methylbutan-2-ylamino)-2-oxo-1-pyridin-4-ylethyl]thiadiazole-4-carboxamide?
The canonical SMILES for N-(4-ethylphenyl)-N-[2-(2-methylbutan-2-ylamino)-2-oxo-1-pyridin-4-ylethyl]thiadiazole-4-carboxamide is CCc1ccc(N(C(=O)c2csnn2)C(C(=O)NC(C)(C)CC)c2ccncc2)cc1.
What is the InChIKey of N-(4-ethylphenyl)-N-[2-(2-methylbutan-2-ylamino)-2-oxo-1-pyridin-4-ylethyl]thiadiazole-4-carboxamide?
The InChIKey is KROOCNGXWUBMSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N5O2S/c1-5-16-7-9-18(10-8-16)28(22(30)19-15-31-27-26-19)20(17-11-13-24-14-12-17)21(29)25-23(3,4)6-2/h7-15,20H,5-6H2,1-4H3,(H,25,29).
What are the key properties of N-(4-ethylphenyl)-N-[2-(2-methylbutan-2-ylamino)-2-oxo-1-pyridin-4-ylethyl]thiadiazole-4-carboxamide?
N-(4-ethylphenyl)-N-[2-(2-methylbutan-2-ylamino)-2-oxo-1-pyridin-4-ylethyl]thiadiazole-4-carboxamide has a molecular weight of 437.57 g/mol, XLogP of 4.19, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethylphenyl)-N-[2-(2-methylbutan-2-ylamino)-2-oxo-1-pyridin-4-ylethyl]thiadiazole-4-carboxamide is sourced from PubChem (CID 3221941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).