N-cyclopropyl-N-[(1R)-1-(5-methylfuran-2-yl)-2-oxo-2-(2-phenylethylamino)ethyl]thiadiazole-4-carboxamide

C21H22N4O3S — CID 7205524

IUPACN-cyclopropyl-N-[(1R)-1-(5-methylfuran-2-yl)-2-oxo-2-(2-phenylethylamino)ethyl]thiadiazole-4-carboxamide
SMILESCc1ccc([C@H](C(=O)NCCc2ccccc2)N(C(=O)c2csnn2)C2CC2)o1
InChIInChI=1S/C21H22N4O3S/c1-14-7-10-18(28-14)19(20(26)22-12-11-15-5-3-2-4-6-15)25(16-8-9-16)21(27)17-13-29-24-23-17/h2-7,10,13,16,19H,8-9,11-12H2,1H3,(H,22,26)/t19-/m1/s1
InChIKeyJQOPOUHZVAQROU-LJQANCHMSA-N
MW410.50 g/mol
LogP3.14
Rot. Bonds8

About N-cyclopropyl-N-[(1R)-1-(5-methylfuran-2-yl)-2-oxo-2-(2-phenylethylamino)ethyl]thiadiazole-4-carboxamide

N-cyclopropyl-N-[(1R)-1-(5-methylfuran-2-yl)-2-oxo-2-(2-phenylethylamino)ethyl]thiadiazole-4-carboxamide (PubChem CID 7205524) has the molecular formula C21H22N4O3S and a molecular weight of 410.50 g/mol. Its IUPAC name is N-cyclopropyl-N-[(1R)-1-(5-methylfuran-2-yl)-2-oxo-2-(2-phenylethylamino)ethyl]thiadiazole-4-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-N-[(1R)-1-(5-methylfuran-2-yl)-2-oxo-2-(2-phenylethylamino)ethyl]thiadiazole-4-carboxamide
PubChem CID7205524
Molecular FormulaC21H22N4O3S
Molecular Weight410.50 g/mol
Exact Mass410.14
IUPAC NameN-cyclopropyl-N-[(1R)-1-(5-methylfuran-2-yl)-2-oxo-2-(2-phenylethylamino)ethyl]thiadiazole-4-carboxamide
SMILESCc1ccc([C@H](C(=O)NCCc2ccccc2)N(C(=O)c2csnn2)C2CC2)o1
InChIInChI=1S/C21H22N4O3S/c1-14-7-10-18(28-14)19(20(26)22-12-11-15-5-3-2-4-6-15)25(16-8-9-16)21(27)17-13-29-24-23-17/h2-7,10,13,16,19H,8-9,11-12H2,1H3,(H,22,26)/t19-/m1/s1
InChIKeyJQOPOUHZVAQROU-LJQANCHMSA-N
XLogP3.14
TPSA88.33 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.50
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-cyclopropyl-N-[(1R)-1-(4-methylphenyl)-2-oxo-2-(2-phenylethylamino)ethyl]thiadiazole-4-carboxamide
CID 7434990
N-cyclohexyl-N-[2-oxo-2-(2-phenylethylamino)-1-pyridin-2-ylethyl]thiadiazole-4-carboxamide
CID 3222462
N-[(1R)-2-(tert-butylamino)-2-oxo-1-phenylethyl]-N-cyclopropylthiadiazole-4-carboxamide
CID 7404533
N-cyclopropyl-N-[(1S)-2-(2-methoxyethylamino)-1-(4-methylphenyl)-2-oxoethyl]thiadiazole-4-carboxamide
CID 7412199
N-[(1R)-2-(tert-butylamino)-1-(4-ethylphenyl)-2-oxoethyl]-N-cyclopropylthiadiazole-4-carboxamide
CID 7404559
N-cyclopropyl-N-[2-[(4-fluorophenyl)methylamino]-1-(2-methoxyphenyl)-2-oxoethyl]thiadiazole-4-carboxamide
CID 3222401
N-[(1R)-2-(cyclopentylamino)-1-(5-methylfuran-2-yl)-2-oxoethyl]-N-(3,4-dimethylphenyl)thiadiazole-4-carboxamide
CID 25410502
N-cyclopropyl-N-[2-[(4-fluorophenyl)methylamino]-2-oxo-1-pyridin-2-ylethyl]thiadiazole-4-carboxamide
CID 43815608
N-[2-(cyclopentylamino)-1-(5-methylfuran-2-yl)-2-oxoethyl]-N-(3,4-dimethylphenyl)thiadiazole-4-carboxamide
CID 3219271
N-cyclopropyl-N-[2-(2-methylbutan-2-ylamino)-2-oxo-1-thiophen-2-ylethyl]thiadiazole-4-carboxamide
CID 5014191
N-[2-(cyclohexylamino)-1-(5-methylfuran-2-yl)-2-oxoethyl]-N-prop-2-enylthiadiazole-4-carboxamide
CID 3697623
N-[(1R)-2-(cyclopentylamino)-1-(5-methylfuran-2-yl)-2-oxoethyl]-N-(2,3-dimethylphenyl)thiadiazole-4-carboxamide
CID 1452161

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-N-[(1R)-1-(5-methylfuran-2-yl)-2-oxo-2-(2-phenylethylamino)ethyl]thiadiazole-4-carboxamide?
The IUPAC name of N-cyclopropyl-N-[(1R)-1-(5-methylfuran-2-yl)-2-oxo-2-(2-phenylethylamino)ethyl]thiadiazole-4-carboxamide (CID 7205524) is N-cyclopropyl-N-[(1R)-1-(5-methylfuran-2-yl)-2-oxo-2-(2-phenylethylamino)ethyl]thiadiazole-4-carboxamide.
What is the SMILES notation for N-cyclopropyl-N-[(1R)-1-(5-methylfuran-2-yl)-2-oxo-2-(2-phenylethylamino)ethyl]thiadiazole-4-carboxamide?
The canonical SMILES for N-cyclopropyl-N-[(1R)-1-(5-methylfuran-2-yl)-2-oxo-2-(2-phenylethylamino)ethyl]thiadiazole-4-carboxamide is Cc1ccc([C@H](C(=O)NCCc2ccccc2)N(C(=O)c2csnn2)C2CC2)o1.
What is the InChIKey of N-cyclopropyl-N-[(1R)-1-(5-methylfuran-2-yl)-2-oxo-2-(2-phenylethylamino)ethyl]thiadiazole-4-carboxamide?
The InChIKey is JQOPOUHZVAQROU-LJQANCHMSA-N. The full InChI is InChI=1S/C21H22N4O3S/c1-14-7-10-18(28-14)19(20(26)22-12-11-15-5-3-2-4-6-15)25(16-8-9-16)21(27)17-13-29-24-23-17/h2-7,10,13,16,19H,8-9,11-12H2,1H3,(H,22,26)/t19-/m1/s1.
What are the key properties of N-cyclopropyl-N-[(1R)-1-(5-methylfuran-2-yl)-2-oxo-2-(2-phenylethylamino)ethyl]thiadiazole-4-carboxamide?
N-cyclopropyl-N-[(1R)-1-(5-methylfuran-2-yl)-2-oxo-2-(2-phenylethylamino)ethyl]thiadiazole-4-carboxamide has a molecular weight of 410.50 g/mol, XLogP of 3.14, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-N-[(1R)-1-(5-methylfuran-2-yl)-2-oxo-2-(2-phenylethylamino)ethyl]thiadiazole-4-carboxamide is sourced from PubChem (CID 7205524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).