2-[3-[(5-methylthiophen-2-yl)methylidene]-2-oxo-1H-indol-5-yl]guanidine

C15H14N4OS — CID 57274644

IUPAC2-[3-[(5-methylthiophen-2-yl)methylidene]-2-oxo-1H-indol-5-yl]guanidine
SMILESCc1ccc(C=C2C(=O)Nc3ccc(N=C(N)N)cc32)s1
InChIInChI=1S/C15H14N4OS/c1-8-2-4-10(21-8)7-12-11-6-9(18-15(16)17)3-5-13(11)19-14(12)20/h2-7H,1H3,(H,19,20)(H4,16,17,18)
InChIKeyMTWJFKUALBCAIF-UHFFFAOYSA-N
MW298.37 g/mol
LogP2.45
Rot. Bonds2

About 2-[3-[(5-methylthiophen-2-yl)methylidene]-2-oxo-1H-indol-5-yl]guanidine

2-[3-[(5-methylthiophen-2-yl)methylidene]-2-oxo-1H-indol-5-yl]guanidine (PubChem CID 57274644) has the molecular formula C15H14N4OS and a molecular weight of 298.37 g/mol. Its IUPAC name is 2-[3-[(5-methylthiophen-2-yl)methylidene]-2-oxo-1H-indol-5-yl]guanidine.

Molecular Properties

Compound Name2-[3-[(5-methylthiophen-2-yl)methylidene]-2-oxo-1H-indol-5-yl]guanidine
PubChem CID57274644
Molecular FormulaC15H14N4OS
Molecular Weight298.37 g/mol
Exact Mass298.09
IUPAC Name2-[3-[(5-methylthiophen-2-yl)methylidene]-2-oxo-1H-indol-5-yl]guanidine
SMILESCc1ccc(C=C2C(=O)Nc3ccc(N=C(N)N)cc32)s1
InChIInChI=1S/C15H14N4OS/c1-8-2-4-10(21-8)7-12-11-6-9(18-15(16)17)3-5-13(11)19-14(12)20/h2-7H,1H3,(H,19,20)(H4,16,17,18)
InChIKeyMTWJFKUALBCAIF-UHFFFAOYSA-N
XLogP2.45
TPSA93.50 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.37
LogP ≤ 52.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

2-[2-oxo-3-(1H-pyrrol-2-ylmethylidene)-1H-indol-5-yl]guanidine
CID 57110227
3-[3-[(5-methylthiophen-2-yl)methylidene]-2-oxo-1H-indol-5-yl]propanoic acid
CID 54489209
5-(2-chloroethyl)-3-[(5-chlorothiophen-2-yl)methylidene]-1H-indol-2-one
CID 57189107
(5E)-1-methyl-5-[(5-methylthiophen-2-yl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione
CID 7333999
3-[(4-amino-3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-5-chloro-1H-indol-2-one
CID 123202625
3-[(3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-2-oxo-1H-indole-5-carboximidamide
CID 57273130
N-methyl-3-[(5-nitrothiophen-2-yl)methylidene]-2-oxo-1H-indole-5-sulfonamide
CID 56979807
(5E)-1-ethyl-5-[(5-methylthiophen-2-yl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione
CID 126395367
5-chloro-3-[(4-hydroxy-3,5-dimethylphenyl)methylidene]-1H-indol-2-one
CID 5027354
5-amino-3-[(4-ethyl-3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-1H-indol-2-one
CID 54038703
(3E)-3-[(6-chloro-2-methylimidazo[2,1-b][1,3]thiazol-5-yl)methylidene]-5-hydroxy-1H-indol-2-one
CID 5473336
(3Z)-5-amino-3-[(1,3,5-trimethylpyrrol-2-yl)methylidene]-1H-indol-2-one
CID 58843036

Frequently Asked Questions

What is the IUPAC name of 2-[3-[(5-methylthiophen-2-yl)methylidene]-2-oxo-1H-indol-5-yl]guanidine?
The IUPAC name of 2-[3-[(5-methylthiophen-2-yl)methylidene]-2-oxo-1H-indol-5-yl]guanidine (CID 57274644) is 2-[3-[(5-methylthiophen-2-yl)methylidene]-2-oxo-1H-indol-5-yl]guanidine.
What is the SMILES notation for 2-[3-[(5-methylthiophen-2-yl)methylidene]-2-oxo-1H-indol-5-yl]guanidine?
The canonical SMILES for 2-[3-[(5-methylthiophen-2-yl)methylidene]-2-oxo-1H-indol-5-yl]guanidine is Cc1ccc(C=C2C(=O)Nc3ccc(N=C(N)N)cc32)s1.
What is the InChIKey of 2-[3-[(5-methylthiophen-2-yl)methylidene]-2-oxo-1H-indol-5-yl]guanidine?
The InChIKey is MTWJFKUALBCAIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4OS/c1-8-2-4-10(21-8)7-12-11-6-9(18-15(16)17)3-5-13(11)19-14(12)20/h2-7H,1H3,(H,19,20)(H4,16,17,18).
What are the key properties of 2-[3-[(5-methylthiophen-2-yl)methylidene]-2-oxo-1H-indol-5-yl]guanidine?
2-[3-[(5-methylthiophen-2-yl)methylidene]-2-oxo-1H-indol-5-yl]guanidine has a molecular weight of 298.37 g/mol, XLogP of 2.45, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[(5-methylthiophen-2-yl)methylidene]-2-oxo-1H-indol-5-yl]guanidine is sourced from PubChem (CID 57274644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).