N-[2-(tert-butylamino)-2-oxo-1-pyridin-3-ylethyl]-N-(3-chlorophenyl)thiadiazole-4-carboxamide

C20H20ClN5O2S — CID 3222102

IUPACN-[2-(tert-butylamino)-2-oxo-1-pyridin-3-ylethyl]-N-(3-chlorophenyl)thiadiazole-4-carboxamide
SMILESCC(C)(C)NC(=O)C(c1cccnc1)N(C(=O)c1csnn1)c1cccc(Cl)c1
InChIInChI=1S/C20H20ClN5O2S/c1-20(2,3)23-18(27)17(13-6-5-9-22-11-13)26(15-8-4-7-14(21)10-15)19(28)16-12-29-25-24-16/h4-12,17H,1-3H3,(H,23,27)
InChIKeyWUMYKVIXDHNYJI-UHFFFAOYSA-N
MW429.93 g/mol
LogP3.89
Rot. Bonds5

About N-[2-(tert-butylamino)-2-oxo-1-pyridin-3-ylethyl]-N-(3-chlorophenyl)thiadiazole-4-carboxamide

N-[2-(tert-butylamino)-2-oxo-1-pyridin-3-ylethyl]-N-(3-chlorophenyl)thiadiazole-4-carboxamide (PubChem CID 3222102) has the molecular formula C20H20ClN5O2S and a molecular weight of 429.93 g/mol. Its IUPAC name is N-[2-(tert-butylamino)-2-oxo-1-pyridin-3-ylethyl]-N-(3-chlorophenyl)thiadiazole-4-carboxamide.

Molecular Properties

Compound NameN-[2-(tert-butylamino)-2-oxo-1-pyridin-3-ylethyl]-N-(3-chlorophenyl)thiadiazole-4-carboxamide
PubChem CID3222102
Molecular FormulaC20H20ClN5O2S
Molecular Weight429.93 g/mol
Exact Mass429.10
IUPAC NameN-[2-(tert-butylamino)-2-oxo-1-pyridin-3-ylethyl]-N-(3-chlorophenyl)thiadiazole-4-carboxamide
SMILESCC(C)(C)NC(=O)C(c1cccnc1)N(C(=O)c1csnn1)c1cccc(Cl)c1
InChIInChI=1S/C20H20ClN5O2S/c1-20(2,3)23-18(27)17(13-6-5-9-22-11-13)26(15-8-4-7-14(21)10-15)19(28)16-12-29-25-24-16/h4-12,17H,1-3H3,(H,23,27)
InChIKeyWUMYKVIXDHNYJI-UHFFFAOYSA-N
XLogP3.89
TPSA88.08 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.93
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-(tert-butylamino)-2-oxo-1-pyridin-3-ylethyl]-N-(3-ethylphenyl)thiadiazole-4-carboxamide
CID 3222599
N-(3-chlorophenyl)-N-[2-(cyclopentylamino)-2-oxo-1-pyridin-3-ylethyl]thiadiazole-4-carboxamide
CID 5003301
N-[2-(tert-butylamino)-1-(furan-2-yl)-2-oxoethyl]-N-(3-chlorophenyl)thiadiazole-4-carboxamide
CID 3222099
N-[(1R)-2-(tert-butylamino)-1-(4-chlorophenyl)-2-oxoethyl]-N-(3-methylphenyl)thiadiazole-4-carboxamide
CID 25410234
N-[(1R)-2-(tert-butylamino)-1-(3-methylphenyl)-2-oxoethyl]-N-phenylthiadiazole-4-carboxamide
CID 7434827
N-[(1S)-2-(tert-butylamino)-2-oxo-1-phenylethyl]-N-(3-methoxyphenyl)thiadiazole-4-carboxamide
CID 25410805
N-[2-(tert-butylamino)-1-(3-methylphenyl)-2-oxoethyl]-N-(4-fluorophenyl)thiadiazole-4-carboxamide
CID 3221759
N-[(1R)-2-(tert-butylamino)-1-(4-fluorophenyl)-2-oxoethyl]-N-(3-methoxyphenyl)thiadiazole-4-carboxamide
CID 25410818
N-[(1R)-2-(benzylamino)-2-oxo-1-pyridin-3-ylethyl]-N-phenylthiadiazole-4-carboxamide
CID 51552695
N-[2-(tert-butylamino)-1-(4-fluorophenyl)-2-oxoethyl]-N-phenylthiadiazole-4-carboxamide
CID 3219164
N-[2-(tert-butylamino)-2-oxo-1-pyridin-3-ylethyl]-N-[(2-fluorophenyl)methyl]thiadiazole-4-carboxamide
CID 3222221
N-[(1R)-2-(cyclopentylamino)-2-oxo-1-pyridin-3-ylethyl]-N-(3-ethylphenyl)thiadiazole-4-carboxamide
CID 40602388

Frequently Asked Questions

What is the IUPAC name of N-[2-(tert-butylamino)-2-oxo-1-pyridin-3-ylethyl]-N-(3-chlorophenyl)thiadiazole-4-carboxamide?
The IUPAC name of N-[2-(tert-butylamino)-2-oxo-1-pyridin-3-ylethyl]-N-(3-chlorophenyl)thiadiazole-4-carboxamide (CID 3222102) is N-[2-(tert-butylamino)-2-oxo-1-pyridin-3-ylethyl]-N-(3-chlorophenyl)thiadiazole-4-carboxamide.
What is the SMILES notation for N-[2-(tert-butylamino)-2-oxo-1-pyridin-3-ylethyl]-N-(3-chlorophenyl)thiadiazole-4-carboxamide?
The canonical SMILES for N-[2-(tert-butylamino)-2-oxo-1-pyridin-3-ylethyl]-N-(3-chlorophenyl)thiadiazole-4-carboxamide is CC(C)(C)NC(=O)C(c1cccnc1)N(C(=O)c1csnn1)c1cccc(Cl)c1.
What is the InChIKey of N-[2-(tert-butylamino)-2-oxo-1-pyridin-3-ylethyl]-N-(3-chlorophenyl)thiadiazole-4-carboxamide?
The InChIKey is WUMYKVIXDHNYJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20ClN5O2S/c1-20(2,3)23-18(27)17(13-6-5-9-22-11-13)26(15-8-4-7-14(21)10-15)19(28)16-12-29-25-24-16/h4-12,17H,1-3H3,(H,23,27).
What are the key properties of N-[2-(tert-butylamino)-2-oxo-1-pyridin-3-ylethyl]-N-(3-chlorophenyl)thiadiazole-4-carboxamide?
N-[2-(tert-butylamino)-2-oxo-1-pyridin-3-ylethyl]-N-(3-chlorophenyl)thiadiazole-4-carboxamide has a molecular weight of 429.93 g/mol, XLogP of 3.89, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(tert-butylamino)-2-oxo-1-pyridin-3-ylethyl]-N-(3-chlorophenyl)thiadiazole-4-carboxamide is sourced from PubChem (CID 3222102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).