2-(cyclopropylamino)-N-[4-(diethylamino)-4-oxobutyl]-1,3-thiazole-4-carboxamide

C15H24N4O2S — CID 75429924

IUPAC2-(cyclopropylamino)-N-[4-(diethylamino)-4-oxobutyl]-1,3-thiazole-4-carboxamide
SMILESCCN(CC)C(=O)CCCNC(=O)c1csc(NC2CC2)n1
InChIInChI=1S/C15H24N4O2S/c1-3-19(4-2)13(20)6-5-9-16-14(21)12-10-22-15(18-12)17-11-7-8-11/h10-11H,3-9H2,1-2H3,(H,16,21)(H,17,18)
InChIKeyGTGDXCUMKAKHLN-UHFFFAOYSA-N
MW324.45 g/mol
LogP2.10
Rot. Bonds9

About 2-(cyclopropylamino)-N-[4-(diethylamino)-4-oxobutyl]-1,3-thiazole-4-carboxamide

2-(cyclopropylamino)-N-[4-(diethylamino)-4-oxobutyl]-1,3-thiazole-4-carboxamide (PubChem CID 75429924) has the molecular formula C15H24N4O2S and a molecular weight of 324.45 g/mol. Its IUPAC name is 2-(cyclopropylamino)-N-[4-(diethylamino)-4-oxobutyl]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-(cyclopropylamino)-N-[4-(diethylamino)-4-oxobutyl]-1,3-thiazole-4-carboxamide
PubChem CID75429924
Molecular FormulaC15H24N4O2S
Molecular Weight324.45 g/mol
Exact Mass324.16
IUPAC Name2-(cyclopropylamino)-N-[4-(diethylamino)-4-oxobutyl]-1,3-thiazole-4-carboxamide
SMILESCCN(CC)C(=O)CCCNC(=O)c1csc(NC2CC2)n1
InChIInChI=1S/C15H24N4O2S/c1-3-19(4-2)13(20)6-5-9-16-14(21)12-10-22-15(18-12)17-11-7-8-11/h10-11H,3-9H2,1-2H3,(H,16,21)(H,17,18)
InChIKeyGTGDXCUMKAKHLN-UHFFFAOYSA-N
XLogP2.10
TPSA74.33 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.45
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

Thia-Net
CID 148100
2-(6-aminohexanoylamino)-N-[4-[3-(dimethylamino)propylcarbamoyl]thiazol-2-yl]thiazole-4-carboxamide
CID 479274
2-(6-aminohexanoylamino)-N-[4-(methylcarbamoyl)thiazol-2-yl]thiazole-4-carboxamide
CID 479277
2-(6-aminohexanoylamino)-N-[4-(6-aminohexylcarbamoyl)thiazol-2-yl]thiazole-4-carboxamide
CID 479279
2-(6-aminohexanoylamino)-N-[3-(dimethylamino)propyl]thiazole-4-carboxamide
CID 482919
2-(cyclopropylamino)-N-(propan-2-yl)-1,3-thiazole-4-carboxamide
CID 49656855
N-cyclopropyl-2-(isopentylamino)thiazole-4-carboxamide
CID 51044390
2-(cyclopropylamino)-N-isopentylthiazole-4-carboxamide
CID 52898270
N-(2-tert-butylsulfinylethyl)-2-(cyclopropylamino)-1,3-thiazole-4-carboxamide
CID 75424104
2-amino-N-ethyl-1,3-thiazole-4-carboxamide
CID 42281847
N-methyl-2-propionamidothiazole-4-carboxamide
CID 16915486
N,N-dimethyl-2-(4-methylpiperazino)-1,3-thiazole-4-carboxamide
CID 53014663

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylamino)-N-[4-(diethylamino)-4-oxobutyl]-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-(cyclopropylamino)-N-[4-(diethylamino)-4-oxobutyl]-1,3-thiazole-4-carboxamide (CID 75429924) is 2-(cyclopropylamino)-N-[4-(diethylamino)-4-oxobutyl]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-(cyclopropylamino)-N-[4-(diethylamino)-4-oxobutyl]-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-(cyclopropylamino)-N-[4-(diethylamino)-4-oxobutyl]-1,3-thiazole-4-carboxamide is CCN(CC)C(=O)CCCNC(=O)c1csc(NC2CC2)n1.
What is the InChIKey of 2-(cyclopropylamino)-N-[4-(diethylamino)-4-oxobutyl]-1,3-thiazole-4-carboxamide?
The InChIKey is GTGDXCUMKAKHLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O2S/c1-3-19(4-2)13(20)6-5-9-16-14(21)12-10-22-15(18-12)17-11-7-8-11/h10-11H,3-9H2,1-2H3,(H,16,21)(H,17,18).
What are the key properties of 2-(cyclopropylamino)-N-[4-(diethylamino)-4-oxobutyl]-1,3-thiazole-4-carboxamide?
2-(cyclopropylamino)-N-[4-(diethylamino)-4-oxobutyl]-1,3-thiazole-4-carboxamide has a molecular weight of 324.45 g/mol, XLogP of 2.10, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylamino)-N-[4-(diethylamino)-4-oxobutyl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 75429924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).