N-[[5-[2-(diaminomethylideneamino)-5-methyl-1,3-thiazol-4-yl]furan-2-yl]methyl]acetamide

C12H15N5O2S — CID 10661396

IUPACN-[[5-[2-(diaminomethylideneamino)-5-methyl-1,3-thiazol-4-yl]furan-2-yl]methyl]acetamide
SMILESCC(=O)NCc1ccc(-c2nc(N=C(N)N)sc2C)o1
InChIInChI=1S/C12H15N5O2S/c1-6-10(16-12(20-6)17-11(13)14)9-4-3-8(19-9)5-15-7(2)18/h3-4H,5H2,1-2H3,(H,15,18)(H4,13,14,16,17)
InChIKeyXFJJAMICANKBJA-UHFFFAOYSA-N
MW293.35 g/mol
LogP1.25
Rot. Bonds4

About N-[[5-[2-(diaminomethylideneamino)-5-methyl-1,3-thiazol-4-yl]furan-2-yl]methyl]acetamide

N-[[5-[2-(diaminomethylideneamino)-5-methyl-1,3-thiazol-4-yl]furan-2-yl]methyl]acetamide (PubChem CID 10661396) has the molecular formula C12H15N5O2S and a molecular weight of 293.35 g/mol. Its IUPAC name is N-[[5-[2-(diaminomethylideneamino)-5-methyl-1,3-thiazol-4-yl]furan-2-yl]methyl]acetamide.

Molecular Properties

Compound NameN-[[5-[2-(diaminomethylideneamino)-5-methyl-1,3-thiazol-4-yl]furan-2-yl]methyl]acetamide
PubChem CID10661396
Molecular FormulaC12H15N5O2S
Molecular Weight293.35 g/mol
Exact Mass293.09
IUPAC NameN-[[5-[2-(diaminomethylideneamino)-5-methyl-1,3-thiazol-4-yl]furan-2-yl]methyl]acetamide
SMILESCC(=O)NCc1ccc(-c2nc(N=C(N)N)sc2C)o1
InChIInChI=1S/C12H15N5O2S/c1-6-10(16-12(20-6)17-11(13)14)9-4-3-8(19-9)5-15-7(2)18/h3-4H,5H2,1-2H3,(H,15,18)(H4,13,14,16,17)
InChIKeyXFJJAMICANKBJA-UHFFFAOYSA-N
XLogP1.25
TPSA119.53 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.35
LogP ≤ 51.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[[5-[2-(diaminomethylideneamino)-5-methyl-1,3-thiazol-4-yl]furan-2-yl]methyl]acetamide?
The IUPAC name of N-[[5-[2-(diaminomethylideneamino)-5-methyl-1,3-thiazol-4-yl]furan-2-yl]methyl]acetamide (CID 10661396) is N-[[5-[2-(diaminomethylideneamino)-5-methyl-1,3-thiazol-4-yl]furan-2-yl]methyl]acetamide.
What is the SMILES notation for N-[[5-[2-(diaminomethylideneamino)-5-methyl-1,3-thiazol-4-yl]furan-2-yl]methyl]acetamide?
The canonical SMILES for N-[[5-[2-(diaminomethylideneamino)-5-methyl-1,3-thiazol-4-yl]furan-2-yl]methyl]acetamide is CC(=O)NCc1ccc(-c2nc(N=C(N)N)sc2C)o1.
What is the InChIKey of N-[[5-[2-(diaminomethylideneamino)-5-methyl-1,3-thiazol-4-yl]furan-2-yl]methyl]acetamide?
The InChIKey is XFJJAMICANKBJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N5O2S/c1-6-10(16-12(20-6)17-11(13)14)9-4-3-8(19-9)5-15-7(2)18/h3-4H,5H2,1-2H3,(H,15,18)(H4,13,14,16,17).
What are the key properties of N-[[5-[2-(diaminomethylideneamino)-5-methyl-1,3-thiazol-4-yl]furan-2-yl]methyl]acetamide?
N-[[5-[2-(diaminomethylideneamino)-5-methyl-1,3-thiazol-4-yl]furan-2-yl]methyl]acetamide has a molecular weight of 293.35 g/mol, XLogP of 1.25, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-[2-(diaminomethylideneamino)-5-methyl-1,3-thiazol-4-yl]furan-2-yl]methyl]acetamide is sourced from PubChem (CID 10661396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).