2-[4-(1-aminoethenyl)-1,3-thiazol-2-yl]-1-(2-methyl-1-benzofuran-5-yl)guanidine;ethane

C17H21N5OS — CID 142010928

IUPAC2-[4-(1-aminoethenyl)-1,3-thiazol-2-yl]-1-(2-methyl-1-benzofuran-5-yl)guanidine;ethane
SMILESC=C(N)c1csc(N=C(N)Nc2ccc3oc(C)cc3c2)n1.CC
InChIInChI=1S/C15H15N5OS.C2H6/c1-8-5-10-6-11(3-4-13(10)21-8)18-14(17)20-15-19-12(7-22-15)9(2)16;1-2/h3-7H,2,16H2,1H3,(H3,17,18,19,20);1-2H3
InChIKeyRCHDSSSQDDQLNE-UHFFFAOYSA-N
MW343.46 g/mol
LogP4.21
Rot. Bonds3

About 2-[4-(1-aminoethenyl)-1,3-thiazol-2-yl]-1-(2-methyl-1-benzofuran-5-yl)guanidine;ethane

2-[4-(1-aminoethenyl)-1,3-thiazol-2-yl]-1-(2-methyl-1-benzofuran-5-yl)guanidine;ethane (PubChem CID 142010928) has the molecular formula C17H21N5OS and a molecular weight of 343.46 g/mol. Its IUPAC name is 2-[4-(1-aminoethenyl)-1,3-thiazol-2-yl]-1-(2-methyl-1-benzofuran-5-yl)guanidine;ethane.

Molecular Properties

Compound Name2-[4-(1-aminoethenyl)-1,3-thiazol-2-yl]-1-(2-methyl-1-benzofuran-5-yl)guanidine;ethane
PubChem CID142010928
Molecular FormulaC17H21N5OS
Molecular Weight343.46 g/mol
Exact Mass343.15
IUPAC Name2-[4-(1-aminoethenyl)-1,3-thiazol-2-yl]-1-(2-methyl-1-benzofuran-5-yl)guanidine;ethane
SMILESC=C(N)c1csc(N=C(N)Nc2ccc3oc(C)cc3c2)n1.CC
InChIInChI=1S/C15H15N5OS.C2H6/c1-8-5-10-6-11(3-4-13(10)21-8)18-14(17)20-15-19-12(7-22-15)9(2)16;1-2/h3-7H,2,16H2,1H3,(H3,17,18,19,20);1-2H3
InChIKeyRCHDSSSQDDQLNE-UHFFFAOYSA-N
XLogP4.21
TPSA102.46 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.46
LogP ≤ 54.21
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 2-[4-(1-aminoethenyl)-1,3-thiazol-2-yl]-1-(2-methyl-1-benzofuran-5-yl)guanidine;ethane?
The IUPAC name of 2-[4-(1-aminoethenyl)-1,3-thiazol-2-yl]-1-(2-methyl-1-benzofuran-5-yl)guanidine;ethane (CID 142010928) is 2-[4-(1-aminoethenyl)-1,3-thiazol-2-yl]-1-(2-methyl-1-benzofuran-5-yl)guanidine;ethane.
What is the SMILES notation for 2-[4-(1-aminoethenyl)-1,3-thiazol-2-yl]-1-(2-methyl-1-benzofuran-5-yl)guanidine;ethane?
The canonical SMILES for 2-[4-(1-aminoethenyl)-1,3-thiazol-2-yl]-1-(2-methyl-1-benzofuran-5-yl)guanidine;ethane is C=C(N)c1csc(N=C(N)Nc2ccc3oc(C)cc3c2)n1.CC.
What is the InChIKey of 2-[4-(1-aminoethenyl)-1,3-thiazol-2-yl]-1-(2-methyl-1-benzofuran-5-yl)guanidine;ethane?
The InChIKey is RCHDSSSQDDQLNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N5OS.C2H6/c1-8-5-10-6-11(3-4-13(10)21-8)18-14(17)20-15-19-12(7-22-15)9(2)16;1-2/h3-7H,2,16H2,1H3,(H3,17,18,19,20);1-2H3.
What are the key properties of 2-[4-(1-aminoethenyl)-1,3-thiazol-2-yl]-1-(2-methyl-1-benzofuran-5-yl)guanidine;ethane?
2-[4-(1-aminoethenyl)-1,3-thiazol-2-yl]-1-(2-methyl-1-benzofuran-5-yl)guanidine;ethane has a molecular weight of 343.46 g/mol, XLogP of 4.21, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(1-aminoethenyl)-1,3-thiazol-2-yl]-1-(2-methyl-1-benzofuran-5-yl)guanidine;ethane is sourced from PubChem (CID 142010928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).