N-[(1S)-2-(cyclopentylamino)-1-(furan-2-yl)-2-oxoethyl]-N-(4-propan-2-ylphenyl)thiadiazole-4-carboxamide

C23H26N4O3S — CID 1452413

IUPACN-[(1S)-2-(cyclopentylamino)-1-(furan-2-yl)-2-oxoethyl]-N-(4-propan-2-ylphenyl)thiadiazole-4-carboxamide
SMILESCC(C)c1ccc(N(C(=O)c2csnn2)[C@H](C(=O)NC2CCCC2)c2ccco2)cc1
InChIInChI=1S/C23H26N4O3S/c1-15(2)16-9-11-18(12-10-16)27(23(29)19-14-31-26-25-19)21(20-8-5-13-30-20)22(28)24-17-6-3-4-7-17/h5,8-15,17,21H,3-4,6-7H2,1-2H3,(H,24,28)/t21-/m0/s1
InChIKeyPRLLCLBAWQJCOY-NRFANRHFSA-N
MW438.55 g/mol
LogP4.70
Rot. Bonds7

About N-[(1S)-2-(cyclopentylamino)-1-(furan-2-yl)-2-oxoethyl]-N-(4-propan-2-ylphenyl)thiadiazole-4-carboxamide

N-[(1S)-2-(cyclopentylamino)-1-(furan-2-yl)-2-oxoethyl]-N-(4-propan-2-ylphenyl)thiadiazole-4-carboxamide (PubChem CID 1452413) has the molecular formula C23H26N4O3S and a molecular weight of 438.55 g/mol. Its IUPAC name is N-[(1S)-2-(cyclopentylamino)-1-(furan-2-yl)-2-oxoethyl]-N-(4-propan-2-ylphenyl)thiadiazole-4-carboxamide.

Molecular Properties

Compound NameN-[(1S)-2-(cyclopentylamino)-1-(furan-2-yl)-2-oxoethyl]-N-(4-propan-2-ylphenyl)thiadiazole-4-carboxamide
PubChem CID1452413
Molecular FormulaC23H26N4O3S
Molecular Weight438.55 g/mol
Exact Mass438.17
IUPAC NameN-[(1S)-2-(cyclopentylamino)-1-(furan-2-yl)-2-oxoethyl]-N-(4-propan-2-ylphenyl)thiadiazole-4-carboxamide
SMILESCC(C)c1ccc(N(C(=O)c2csnn2)[C@H](C(=O)NC2CCCC2)c2ccco2)cc1
InChIInChI=1S/C23H26N4O3S/c1-15(2)16-9-11-18(12-10-16)27(23(29)19-14-31-26-25-19)21(20-8-5-13-30-20)22(28)24-17-6-3-4-7-17/h5,8-15,17,21H,3-4,6-7H2,1-2H3,(H,24,28)/t21-/m0/s1
InChIKeyPRLLCLBAWQJCOY-NRFANRHFSA-N
XLogP4.70
TPSA88.33 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.55
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-(cyclopentylamino)-1-(furan-2-yl)-2-oxoethyl]-N-(2,5-dimethylphenyl)thiadiazole-4-carboxamide
CID 3221899
N-[2-(cyclohexylamino)-1-(furan-2-yl)-2-oxoethyl]-N-(2,3-dimethylphenyl)thiadiazole-4-carboxamide
CID 43815579
N-(4-chlorophenyl)-N-[2-(cyclopentylamino)-2-oxo-1-phenylethyl]thiadiazole-4-carboxamide
CID 3222027
N-[2-(cyclopentylamino)-1-[4-(dimethylamino)phenyl]-2-oxoethyl]-N-phenylthiadiazole-4-carboxamide
CID 3221783
N-[(1S)-2-(cyclopentylamino)-1-(4-ethylphenyl)-2-oxoethyl]-N-phenylthiadiazole-4-carboxamide
CID 25410089
4-amino-3-N-cyclohexyl-5-N-[2-(cyclopentylamino)-1-(furan-2-yl)-2-oxoethyl]-5-N-(4-propan-2-ylphenyl)-1,2-thiazole-3,5-dicarboxamide
CID 3182246
N-[(1R)-2-(cyclopentylamino)-2-oxo-1-pyridin-4-ylethyl]-N-(4-ethylphenyl)thiadiazole-4-carboxamide
CID 40573587
N-[1-(furan-2-yl)-2-(2-methylbutan-2-ylamino)-2-oxoethyl]-N-(4-methylphenyl)thiadiazole-4-carboxamide
CID 3221842
N-[(1R)-2-(cyclopentylamino)-1-(5-methylfuran-2-yl)-2-oxoethyl]-N-(3,4-dimethylphenyl)thiadiazole-4-carboxamide
CID 25410502
N-[2-(cyclopentylamino)-1-(5-methylfuran-2-yl)-2-oxoethyl]-N-(3,4-dimethylphenyl)thiadiazole-4-carboxamide
CID 3219271
N-[(1S)-2-(cyclopentylamino)-2-oxo-1-thiophen-2-ylethyl]-N-phenylthiadiazole-4-carboxamide
CID 7404331
N-[(1R)-2-(cyclopentylamino)-2-oxo-1-thiophen-2-ylethyl]-N-phenylthiadiazole-4-carboxamide
CID 7404330

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-2-(cyclopentylamino)-1-(furan-2-yl)-2-oxoethyl]-N-(4-propan-2-ylphenyl)thiadiazole-4-carboxamide?
The IUPAC name of N-[(1S)-2-(cyclopentylamino)-1-(furan-2-yl)-2-oxoethyl]-N-(4-propan-2-ylphenyl)thiadiazole-4-carboxamide (CID 1452413) is N-[(1S)-2-(cyclopentylamino)-1-(furan-2-yl)-2-oxoethyl]-N-(4-propan-2-ylphenyl)thiadiazole-4-carboxamide.
What is the SMILES notation for N-[(1S)-2-(cyclopentylamino)-1-(furan-2-yl)-2-oxoethyl]-N-(4-propan-2-ylphenyl)thiadiazole-4-carboxamide?
The canonical SMILES for N-[(1S)-2-(cyclopentylamino)-1-(furan-2-yl)-2-oxoethyl]-N-(4-propan-2-ylphenyl)thiadiazole-4-carboxamide is CC(C)c1ccc(N(C(=O)c2csnn2)[C@H](C(=O)NC2CCCC2)c2ccco2)cc1.
What is the InChIKey of N-[(1S)-2-(cyclopentylamino)-1-(furan-2-yl)-2-oxoethyl]-N-(4-propan-2-ylphenyl)thiadiazole-4-carboxamide?
The InChIKey is PRLLCLBAWQJCOY-NRFANRHFSA-N. The full InChI is InChI=1S/C23H26N4O3S/c1-15(2)16-9-11-18(12-10-16)27(23(29)19-14-31-26-25-19)21(20-8-5-13-30-20)22(28)24-17-6-3-4-7-17/h5,8-15,17,21H,3-4,6-7H2,1-2H3,(H,24,28)/t21-/m0/s1.
What are the key properties of N-[(1S)-2-(cyclopentylamino)-1-(furan-2-yl)-2-oxoethyl]-N-(4-propan-2-ylphenyl)thiadiazole-4-carboxamide?
N-[(1S)-2-(cyclopentylamino)-1-(furan-2-yl)-2-oxoethyl]-N-(4-propan-2-ylphenyl)thiadiazole-4-carboxamide has a molecular weight of 438.55 g/mol, XLogP of 4.70, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-2-(cyclopentylamino)-1-(furan-2-yl)-2-oxoethyl]-N-(4-propan-2-ylphenyl)thiadiazole-4-carboxamide is sourced from PubChem (CID 1452413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).