4-[(1S,2R)-2-(cyclobutylamino)cyclopropyl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)thiophene-2-carboxamide;sulfuric acid

C15H20N4O5S3 — CID 118433215

IUPAC4-[(1S,2R)-2-(cyclobutylamino)cyclopropyl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)thiophene-2-carboxamide;sulfuric acid
SMILESCc1nnc(NC(=O)c2cc([C@@H]3C[C@H]3NC3CCC3)cs2)s1.O=S(=O)(O)O
InChIInChI=1S/C15H18N4OS2.H2O4S/c1-8-18-19-15(22-8)17-14(20)13-5-9(7-21-13)11-6-12(11)16-10-3-2-4-10;1-5(2,3)4/h5,7,10-12,16H,2-4,6H2,1H3,(H,17,19,20);(H2,1,2,3,4)/t11-,12+;/m0./s1
InChIKeyGVNZUJGCBDVTMF-ZVWHLABXSA-N
MW432.55 g/mol
LogP2.51
Rot. Bonds5

About 4-[(1S,2R)-2-(cyclobutylamino)cyclopropyl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)thiophene-2-carboxamide;sulfuric acid

4-[(1S,2R)-2-(cyclobutylamino)cyclopropyl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)thiophene-2-carboxamide;sulfuric acid (PubChem CID 118433215) has the molecular formula C15H20N4O5S3 and a molecular weight of 432.55 g/mol. Its IUPAC name is 4-[(1S,2R)-2-(cyclobutylamino)cyclopropyl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)thiophene-2-carboxamide;sulfuric acid.

Molecular Properties

Compound Name4-[(1S,2R)-2-(cyclobutylamino)cyclopropyl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)thiophene-2-carboxamide;sulfuric acid
PubChem CID118433215
Molecular FormulaC15H20N4O5S3
Molecular Weight432.55 g/mol
Exact Mass432.06
IUPAC Name4-[(1S,2R)-2-(cyclobutylamino)cyclopropyl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)thiophene-2-carboxamide;sulfuric acid
SMILESCc1nnc(NC(=O)c2cc([C@@H]3C[C@H]3NC3CCC3)cs2)s1.O=S(=O)(O)O
InChIInChI=1S/C15H18N4OS2.H2O4S/c1-8-18-19-15(22-8)17-14(20)13-5-9(7-21-13)11-6-12(11)16-10-3-2-4-10;1-5(2,3)4/h5,7,10-12,16H,2-4,6H2,1H3,(H,17,19,20);(H2,1,2,3,4)/t11-,12+;/m0./s1
InChIKeyGVNZUJGCBDVTMF-ZVWHLABXSA-N
XLogP2.51
TPSA141.51 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.55
LogP ≤ 52.51
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[(1S,2R)-2-(cyclobutylamino)cyclopropyl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)thiophene-2-carboxamide;sulfuric acid?
The IUPAC name of 4-[(1S,2R)-2-(cyclobutylamino)cyclopropyl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)thiophene-2-carboxamide;sulfuric acid (CID 118433215) is 4-[(1S,2R)-2-(cyclobutylamino)cyclopropyl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)thiophene-2-carboxamide;sulfuric acid.
What is the SMILES notation for 4-[(1S,2R)-2-(cyclobutylamino)cyclopropyl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)thiophene-2-carboxamide;sulfuric acid?
The canonical SMILES for 4-[(1S,2R)-2-(cyclobutylamino)cyclopropyl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)thiophene-2-carboxamide;sulfuric acid is Cc1nnc(NC(=O)c2cc([C@@H]3C[C@H]3NC3CCC3)cs2)s1.O=S(=O)(O)O.
What is the InChIKey of 4-[(1S,2R)-2-(cyclobutylamino)cyclopropyl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)thiophene-2-carboxamide;sulfuric acid?
The InChIKey is GVNZUJGCBDVTMF-ZVWHLABXSA-N. The full InChI is InChI=1S/C15H18N4OS2.H2O4S/c1-8-18-19-15(22-8)17-14(20)13-5-9(7-21-13)11-6-12(11)16-10-3-2-4-10;1-5(2,3)4/h5,7,10-12,16H,2-4,6H2,1H3,(H,17,19,20);(H2,1,2,3,4)/t11-,12+;/m0./s1.
What are the key properties of 4-[(1S,2R)-2-(cyclobutylamino)cyclopropyl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)thiophene-2-carboxamide;sulfuric acid?
4-[(1S,2R)-2-(cyclobutylamino)cyclopropyl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)thiophene-2-carboxamide;sulfuric acid has a molecular weight of 432.55 g/mol, XLogP of 2.51, 5 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1S,2R)-2-(cyclobutylamino)cyclopropyl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)thiophene-2-carboxamide;sulfuric acid is sourced from PubChem (CID 118433215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).