fermium;iridium;[4-(oxomethylamino)-4-(4-phenyl-1,3-thiazol-2-yl)butanoyl]azanide

C14H13FmIrN3O2S-2 — CID 156868920

IUPACfermium;iridium;[4-(oxomethylamino)-4-(4-phenyl-1,3-thiazol-2-yl)butanoyl]azanide
SMILES[Fm].[Ir].[NH-]C(=O)CCC(N[C-]=O)c1nc(-c2ccccc2)cs1
InChIInChI=1S/C14H14N3O2S.Fm.Ir/c15-13(19)7-6-11(16-9-18)14-17-12(8-20-14)10-4-2-1-3-5-10;;/h1-5,8,11H,6-7H2,(H3,15,16,18,19);;/q-1;;/p-1
InChIKeyJWNIJYAZXPAKHS-UHFFFAOYSA-M
MW736.56 g/mol
LogP2.86
Rot. Bonds7

About fermium;iridium;[4-(oxomethylamino)-4-(4-phenyl-1,3-thiazol-2-yl)butanoyl]azanide

fermium;iridium;[4-(oxomethylamino)-4-(4-phenyl-1,3-thiazol-2-yl)butanoyl]azanide (PubChem CID 156868920) has the molecular formula C14H13FmIrN3O2S-2 and a molecular weight of 736.56 g/mol. Its IUPAC name is fermium;iridium;[4-(oxomethylamino)-4-(4-phenyl-1,3-thiazol-2-yl)butanoyl]azanide.

Molecular Properties

Compound Namefermium;iridium;[4-(oxomethylamino)-4-(4-phenyl-1,3-thiazol-2-yl)butanoyl]azanide
PubChem CID156868920
Molecular FormulaC14H13FmIrN3O2S-2
Molecular Weight736.56 g/mol
Exact Mass737.13
IUPAC Namefermium;iridium;[4-(oxomethylamino)-4-(4-phenyl-1,3-thiazol-2-yl)butanoyl]azanide
SMILES[Fm].[Ir].[NH-]C(=O)CCC(N[C-]=O)c1nc(-c2ccccc2)cs1
InChIInChI=1S/C14H14N3O2S.Fm.Ir/c15-13(19)7-6-11(16-9-18)14-17-12(8-20-14)10-4-2-1-3-5-10;;/h1-5,8,11H,6-7H2,(H3,15,16,18,19);;/q-1;;/p-1
InChIKeyJWNIJYAZXPAKHS-UHFFFAOYSA-M
XLogP2.86
TPSA82.86 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500736.56
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'enamine', 'substructure': 'N/A'}

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Related Compounds

4-formamido-4-(4-phenyl-1,3-thiazol-2-yl)butanamide
CID 156868921
(4S)-4-amino-4-(4-phenyl-1,3-thiazol-2-yl)-N-tritylbutanamide
CID 156868882
[1-(4-phenyl-1,3-thiazol-2-yl)-2-[4-(sulfoamino)phenyl]ethyl]carbamic acid
CID 71225551
3-methyl-2-(4-phenyl-1,3-thiazol-2-yl)butanoic acid
CID 116967222
4-phenyl-2-propan-2-yl-1,3-thiazole
CID 604821
8-oxo-N-[(1S)-1-(4-phenyl-1,3-thiazol-2-yl)ethyl]nonanamide
CID 97089517
3-[methyl-[1-(4-phenyl-1,3-thiazol-2-yl)ethylcarbamoyl]amino]propanoic acid
CID 122001267
1,1-diethyl-3-[(1S)-1-(4-phenyl-1,3-thiazol-2-yl)ethyl]urea
CID 95760758
3-(4-phenyl-1,3-thiazol-2-yl)butan-1-amine
CID 116965041
3-methyl-2-(4-phenyl-1,3-thiazol-2-yl)butan-1-ol
CID 116967334
N-phenyl-2-phenyldiazenyl-2-(4-phenyl-1,3-thiazol-2-yl)acetamide
CID 57004238
3-amino-2-methyl-N-[1-(4-phenyl-1,3-thiazol-2-yl)ethyl]butanamide
CID 120500624

Frequently Asked Questions

What is the IUPAC name of fermium;iridium;[4-(oxomethylamino)-4-(4-phenyl-1,3-thiazol-2-yl)butanoyl]azanide?
The IUPAC name of fermium;iridium;[4-(oxomethylamino)-4-(4-phenyl-1,3-thiazol-2-yl)butanoyl]azanide (CID 156868920) is fermium;iridium;[4-(oxomethylamino)-4-(4-phenyl-1,3-thiazol-2-yl)butanoyl]azanide.
What is the SMILES notation for fermium;iridium;[4-(oxomethylamino)-4-(4-phenyl-1,3-thiazol-2-yl)butanoyl]azanide?
The canonical SMILES for fermium;iridium;[4-(oxomethylamino)-4-(4-phenyl-1,3-thiazol-2-yl)butanoyl]azanide is [Fm].[Ir].[NH-]C(=O)CCC(N[C-]=O)c1nc(-c2ccccc2)cs1.
What is the InChIKey of fermium;iridium;[4-(oxomethylamino)-4-(4-phenyl-1,3-thiazol-2-yl)butanoyl]azanide?
The InChIKey is JWNIJYAZXPAKHS-UHFFFAOYSA-M. The full InChI is InChI=1S/C14H14N3O2S.Fm.Ir/c15-13(19)7-6-11(16-9-18)14-17-12(8-20-14)10-4-2-1-3-5-10;;/h1-5,8,11H,6-7H2,(H3,15,16,18,19);;/q-1;;/p-1.
What are the key properties of fermium;iridium;[4-(oxomethylamino)-4-(4-phenyl-1,3-thiazol-2-yl)butanoyl]azanide?
fermium;iridium;[4-(oxomethylamino)-4-(4-phenyl-1,3-thiazol-2-yl)butanoyl]azanide has a molecular weight of 736.56 g/mol, XLogP of 2.86, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for fermium;iridium;[4-(oxomethylamino)-4-(4-phenyl-1,3-thiazol-2-yl)butanoyl]azanide is sourced from PubChem (CID 156868920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).