N-[(1R)-2-(cyclopentylamino)-1-(5-methylfuran-2-yl)-2-oxoethyl]-N-(3-fluorophenyl)thiadiazole-4-carboxamide

C21H21FN4O3S — CID 1467625

IUPACN-[(1R)-2-(cyclopentylamino)-1-(5-methylfuran-2-yl)-2-oxoethyl]-N-(3-fluorophenyl)thiadiazole-4-carboxamide
SMILESCc1ccc([C@H](C(=O)NC2CCCC2)N(C(=O)c2csnn2)c2cccc(F)c2)o1
InChIInChI=1S/C21H21FN4O3S/c1-13-9-10-18(29-13)19(20(27)23-15-6-2-3-7-15)26(16-8-4-5-14(22)11-16)21(28)17-12-30-25-24-17/h4-5,8-12,15,19H,2-3,6-7H2,1H3,(H,23,27)/t19-/m1/s1
InChIKeySEGCAEBGKBNROT-LJQANCHMSA-N
MW428.49 g/mol
LogP4.03
Rot. Bonds6

About N-[(1R)-2-(cyclopentylamino)-1-(5-methylfuran-2-yl)-2-oxoethyl]-N-(3-fluorophenyl)thiadiazole-4-carboxamide

N-[(1R)-2-(cyclopentylamino)-1-(5-methylfuran-2-yl)-2-oxoethyl]-N-(3-fluorophenyl)thiadiazole-4-carboxamide (PubChem CID 1467625) has the molecular formula C21H21FN4O3S and a molecular weight of 428.49 g/mol. Its IUPAC name is N-[(1R)-2-(cyclopentylamino)-1-(5-methylfuran-2-yl)-2-oxoethyl]-N-(3-fluorophenyl)thiadiazole-4-carboxamide.

Molecular Properties

Compound NameN-[(1R)-2-(cyclopentylamino)-1-(5-methylfuran-2-yl)-2-oxoethyl]-N-(3-fluorophenyl)thiadiazole-4-carboxamide
PubChem CID1467625
Molecular FormulaC21H21FN4O3S
Molecular Weight428.49 g/mol
Exact Mass428.13
IUPAC NameN-[(1R)-2-(cyclopentylamino)-1-(5-methylfuran-2-yl)-2-oxoethyl]-N-(3-fluorophenyl)thiadiazole-4-carboxamide
SMILESCc1ccc([C@H](C(=O)NC2CCCC2)N(C(=O)c2csnn2)c2cccc(F)c2)o1
InChIInChI=1S/C21H21FN4O3S/c1-13-9-10-18(29-13)19(20(27)23-15-6-2-3-7-15)26(16-8-4-5-14(22)11-16)21(28)17-12-30-25-24-17/h4-5,8-12,15,19H,2-3,6-7H2,1H3,(H,23,27)/t19-/m1/s1
InChIKeySEGCAEBGKBNROT-LJQANCHMSA-N
XLogP4.03
TPSA88.33 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.49
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

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-[(1R)-2-(cyclopentylamino)-1-(5-methylfuran-2-yl)-2-oxoethyl]-N-(2,3-dimethylphenyl)thiadiazole-4-carboxamide
CID 1452161
N-[(1S)-2-(cyclopentylamino)-2-oxo-1-thiophen-2-ylethyl]-N-(3-fluorophenyl)thiadiazole-4-carboxamide
CID 1467629
N-[2-(cyclopentylamino)-1-(5-methylfuran-2-yl)-2-oxoethyl]-N-(2,4-dimethylphenyl)thiadiazole-4-carboxamide
CID 3219250
4-amino-5-N-[2-(cyclohexylamino)-1-(5-methylfuran-2-yl)-2-oxoethyl]-5-N-(3-fluorophenyl)-1,2-thiazole-3,5-dicarboxamide
CID 23960871
N-[2-(cyclohexylamino)-2-oxo-1-phenylethyl]-N-(3-methylphenyl)thiadiazole-4-carboxamide
CID 3219206
N-[(1R)-2-(tert-butylamino)-1-(5-methylfuran-2-yl)-2-oxoethyl]-N-(3-methylphenyl)thiadiazole-4-carboxamide
CID 7404366
2-(N-[2-(benzotriazol-1-yl)acetyl]-3-fluoroanilino)-N-cyclopentyl-2-(5-methylfuran-2-yl)acetamide
CID 3178177
N-[2-(N-[2-(cyclopentylamino)-1-(5-methylfuran-2-yl)-2-oxoethyl]-3-fluoroanilino)-2-oxoethyl]thiophene-2-carboxamide
CID 3210955
N-[2-(cyclohexylamino)-1-(5-methylfuran-2-yl)-2-oxoethyl]-N-prop-2-enylthiadiazole-4-carboxamide
CID 3697623
N-[(1S)-2-(cyclohexylamino)-1-(5-methylfuran-2-yl)-2-oxoethyl]-N-phenyl-1,2-oxazole-5-carboxamide
CID 7383521

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-2-(cyclopentylamino)-1-(5-methylfuran-2-yl)-2-oxoethyl]-N-(3-fluorophenyl)thiadiazole-4-carboxamide?
The IUPAC name of N-[(1R)-2-(cyclopentylamino)-1-(5-methylfuran-2-yl)-2-oxoethyl]-N-(3-fluorophenyl)thiadiazole-4-carboxamide (CID 1467625) is N-[(1R)-2-(cyclopentylamino)-1-(5-methylfuran-2-yl)-2-oxoethyl]-N-(3-fluorophenyl)thiadiazole-4-carboxamide.
What is the SMILES notation for N-[(1R)-2-(cyclopentylamino)-1-(5-methylfuran-2-yl)-2-oxoethyl]-N-(3-fluorophenyl)thiadiazole-4-carboxamide?
The canonical SMILES for N-[(1R)-2-(cyclopentylamino)-1-(5-methylfuran-2-yl)-2-oxoethyl]-N-(3-fluorophenyl)thiadiazole-4-carboxamide is Cc1ccc([C@H](C(=O)NC2CCCC2)N(C(=O)c2csnn2)c2cccc(F)c2)o1.
What is the InChIKey of N-[(1R)-2-(cyclopentylamino)-1-(5-methylfuran-2-yl)-2-oxoethyl]-N-(3-fluorophenyl)thiadiazole-4-carboxamide?
The InChIKey is SEGCAEBGKBNROT-LJQANCHMSA-N. The full InChI is InChI=1S/C21H21FN4O3S/c1-13-9-10-18(29-13)19(20(27)23-15-6-2-3-7-15)26(16-8-4-5-14(22)11-16)21(28)17-12-30-25-24-17/h4-5,8-12,15,19H,2-3,6-7H2,1H3,(H,23,27)/t19-/m1/s1.
What are the key properties of N-[(1R)-2-(cyclopentylamino)-1-(5-methylfuran-2-yl)-2-oxoethyl]-N-(3-fluorophenyl)thiadiazole-4-carboxamide?
N-[(1R)-2-(cyclopentylamino)-1-(5-methylfuran-2-yl)-2-oxoethyl]-N-(3-fluorophenyl)thiadiazole-4-carboxamide has a molecular weight of 428.49 g/mol, XLogP of 4.03, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-2-(cyclopentylamino)-1-(5-methylfuran-2-yl)-2-oxoethyl]-N-(3-fluorophenyl)thiadiazole-4-carboxamide is sourced from PubChem (CID 1467625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).