2-[4-[(3S)-3-methyl-2-oxo-1,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]guanidine

C13H13N5OS — CID 7447734

IUPAC2-[4-[(3S)-3-methyl-2-oxo-1,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]guanidine
SMILESC[C@@H]1C(=O)Nc2ccc(-c3csc(N=C(N)N)n3)cc21
InChIInChI=1S/C13H13N5OS/c1-6-8-4-7(2-3-9(8)16-11(6)19)10-5-20-13(17-10)18-12(14)15/h2-6H,1H3,(H,16,19)(H4,14,15,17,18)/t6-/m0/s1
InChIKeyCQUNHLZVPLLHNG-LURJTMIESA-N
MW287.35 g/mol
LogP1.77
Rot. Bonds2

About 2-[4-[(3S)-3-methyl-2-oxo-1,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]guanidine

2-[4-[(3S)-3-methyl-2-oxo-1,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]guanidine (PubChem CID 7447734) has the molecular formula C13H13N5OS and a molecular weight of 287.35 g/mol. Its IUPAC name is 2-[4-[(3S)-3-methyl-2-oxo-1,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]guanidine.

Molecular Properties

Compound Name2-[4-[(3S)-3-methyl-2-oxo-1,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]guanidine
PubChem CID7447734
Molecular FormulaC13H13N5OS
Molecular Weight287.35 g/mol
Exact Mass287.08
IUPAC Name2-[4-[(3S)-3-methyl-2-oxo-1,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]guanidine
SMILESC[C@@H]1C(=O)Nc2ccc(-c3csc(N=C(N)N)n3)cc21
InChIInChI=1S/C13H13N5OS/c1-6-8-4-7(2-3-9(8)16-11(6)19)10-5-20-13(17-10)18-12(14)15/h2-6H,1H3,(H,16,19)(H4,14,15,17,18)/t6-/m0/s1
InChIKeyCQUNHLZVPLLHNG-LURJTMIESA-N
XLogP1.77
TPSA106.39 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.35
LogP ≤ 51.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[4-(3-methyl-2-oxo-1,3-dihydroindol-5-yl)-1,3-thiazol-2-yl]guanidine
CID 6502040
(3R)-5-[2-(cyclopropylamino)-1,3-thiazol-4-yl]-3-methyl-1,3-dihydroindol-2-one
CID 9421585
(3R)-3-methyl-5-[2-[(4-methyl-1,3-thiazol-2-yl)methyl]-1,3-thiazol-4-yl]-1,3-dihydroindol-2-one
CID 9422912
(3R)-3-methyl-5-[2-(3-methylphenyl)-1,3-thiazol-4-yl]-1,3-dihydroindol-2-one
CID 9421764
(3S)-5-[2-(3-bromophenyl)-1,3-thiazol-4-yl]-3-methyl-1,3-dihydroindol-2-one
CID 9421303
(3R)-5-[2-(benzylamino)-1,3-thiazol-4-yl]-3-methyl-1,3-dihydroindol-2-one
CID 7447723
2-(4-naphthalen-2-yl-1,3-thiazol-2-yl)guanidine;hydrochloride
CID 24854754
2-[4-(4-tert-butylphenyl)-1,3-thiazol-2-yl]guanidine
CID 24938739
2-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]guanidine;hydrochloride
CID 24854747
2-[4-(3,5-difluorophenyl)-1,3-thiazol-2-yl]guanidine;hydrochloride
CID 142693097
2-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]guanidine;hydrobromide
CID 24854875
2-[4-(3-aminophenyl)-1,3-thiazol-2-yl]guanidine;hydrobromide
CID 18322948

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(3S)-3-methyl-2-oxo-1,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]guanidine?
The IUPAC name of 2-[4-[(3S)-3-methyl-2-oxo-1,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]guanidine (CID 7447734) is 2-[4-[(3S)-3-methyl-2-oxo-1,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]guanidine.
What is the SMILES notation for 2-[4-[(3S)-3-methyl-2-oxo-1,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]guanidine?
The canonical SMILES for 2-[4-[(3S)-3-methyl-2-oxo-1,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]guanidine is C[C@@H]1C(=O)Nc2ccc(-c3csc(N=C(N)N)n3)cc21.
What is the InChIKey of 2-[4-[(3S)-3-methyl-2-oxo-1,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]guanidine?
The InChIKey is CQUNHLZVPLLHNG-LURJTMIESA-N. The full InChI is InChI=1S/C13H13N5OS/c1-6-8-4-7(2-3-9(8)16-11(6)19)10-5-20-13(17-10)18-12(14)15/h2-6H,1H3,(H,16,19)(H4,14,15,17,18)/t6-/m0/s1.
What are the key properties of 2-[4-[(3S)-3-methyl-2-oxo-1,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]guanidine?
2-[4-[(3S)-3-methyl-2-oxo-1,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]guanidine has a molecular weight of 287.35 g/mol, XLogP of 1.77, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(3S)-3-methyl-2-oxo-1,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]guanidine is sourced from PubChem (CID 7447734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).