3-(2-amino-1,3-thiazol-4-yl)-N-(1-imidazol-1-yl-3,3-dimethylbutan-2-yl)propanamide

C15H23N5OS — CID 72913534

IUPAC3-(2-amino-1,3-thiazol-4-yl)-N-(1-imidazol-1-yl-3,3-dimethylbutan-2-yl)propanamide
SMILESCC(C)(C)C(Cn1ccnc1)NC(=O)CCc1csc(N)n1
InChIInChI=1S/C15H23N5OS/c1-15(2,3)12(8-20-7-6-17-10-20)19-13(21)5-4-11-9-22-14(16)18-11/h6-7,9-10,12H,4-5,8H2,1-3H3,(H2,16,18)(H,19,21)
InChIKeyOUSKWNMGMCGCIJ-UHFFFAOYSA-N
MW321.45 g/mol
LogP2.09
Rot. Bonds6

About 3-(2-amino-1,3-thiazol-4-yl)-N-(1-imidazol-1-yl-3,3-dimethylbutan-2-yl)propanamide

3-(2-amino-1,3-thiazol-4-yl)-N-(1-imidazol-1-yl-3,3-dimethylbutan-2-yl)propanamide (PubChem CID 72913534) has the molecular formula C15H23N5OS and a molecular weight of 321.45 g/mol. Its IUPAC name is 3-(2-amino-1,3-thiazol-4-yl)-N-(1-imidazol-1-yl-3,3-dimethylbutan-2-yl)propanamide.

Molecular Properties

Compound Name3-(2-amino-1,3-thiazol-4-yl)-N-(1-imidazol-1-yl-3,3-dimethylbutan-2-yl)propanamide
PubChem CID72913534
Molecular FormulaC15H23N5OS
Molecular Weight321.45 g/mol
Exact Mass321.16
IUPAC Name3-(2-amino-1,3-thiazol-4-yl)-N-(1-imidazol-1-yl-3,3-dimethylbutan-2-yl)propanamide
SMILESCC(C)(C)C(Cn1ccnc1)NC(=O)CCc1csc(N)n1
InChIInChI=1S/C15H23N5OS/c1-15(2,3)12(8-20-7-6-17-10-20)19-13(21)5-4-11-9-22-14(16)18-11/h6-7,9-10,12H,4-5,8H2,1-3H3,(H2,16,18)(H,19,21)
InChIKeyOUSKWNMGMCGCIJ-UHFFFAOYSA-N
XLogP2.09
TPSA85.83 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.45
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(2-amino-1,3-thiazol-4-yl)-N-(1-imidazol-1-yl-3,3-dimethylbutan-2-yl)propanamide?
The IUPAC name of 3-(2-amino-1,3-thiazol-4-yl)-N-(1-imidazol-1-yl-3,3-dimethylbutan-2-yl)propanamide (CID 72913534) is 3-(2-amino-1,3-thiazol-4-yl)-N-(1-imidazol-1-yl-3,3-dimethylbutan-2-yl)propanamide.
What is the SMILES notation for 3-(2-amino-1,3-thiazol-4-yl)-N-(1-imidazol-1-yl-3,3-dimethylbutan-2-yl)propanamide?
The canonical SMILES for 3-(2-amino-1,3-thiazol-4-yl)-N-(1-imidazol-1-yl-3,3-dimethylbutan-2-yl)propanamide is CC(C)(C)C(Cn1ccnc1)NC(=O)CCc1csc(N)n1.
What is the InChIKey of 3-(2-amino-1,3-thiazol-4-yl)-N-(1-imidazol-1-yl-3,3-dimethylbutan-2-yl)propanamide?
The InChIKey is OUSKWNMGMCGCIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N5OS/c1-15(2,3)12(8-20-7-6-17-10-20)19-13(21)5-4-11-9-22-14(16)18-11/h6-7,9-10,12H,4-5,8H2,1-3H3,(H2,16,18)(H,19,21).
What are the key properties of 3-(2-amino-1,3-thiazol-4-yl)-N-(1-imidazol-1-yl-3,3-dimethylbutan-2-yl)propanamide?
3-(2-amino-1,3-thiazol-4-yl)-N-(1-imidazol-1-yl-3,3-dimethylbutan-2-yl)propanamide has a molecular weight of 321.45 g/mol, XLogP of 2.09, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-amino-1,3-thiazol-4-yl)-N-(1-imidazol-1-yl-3,3-dimethylbutan-2-yl)propanamide is sourced from PubChem (CID 72913534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).