2-[(Z)-1-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]indol-3-yl]ethylideneamino]guanidine

C16H18N6O3S — CID 10474545

IUPAC2-[(Z)-1-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]indol-3-yl]ethylideneamino]guanidine
SMILESC/C(=N/N=C(N)N)c1cn(S(=O)(=O)c2c(C)noc2C)c2ccccc12
InChIInChI=1S/C16H18N6O3S/c1-9(19-20-16(17)18)13-8-22(14-7-5-4-6-12(13)14)26(23,24)15-10(2)21-25-11(15)3/h4-8H,1-3H3,(H4,17,18,20)/b19-9-
InChIKeyXZZYDHKPCSEQKH-OCKHKDLRSA-N
MW374.43 g/mol
LogP1.48
Rot. Bonds4

About 2-[(Z)-1-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]indol-3-yl]ethylideneamino]guanidine

2-[(Z)-1-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]indol-3-yl]ethylideneamino]guanidine (PubChem CID 10474545) has the molecular formula C16H18N6O3S and a molecular weight of 374.43 g/mol. Its IUPAC name is 2-[(Z)-1-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]indol-3-yl]ethylideneamino]guanidine.

Molecular Properties

Compound Name2-[(Z)-1-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]indol-3-yl]ethylideneamino]guanidine
PubChem CID10474545
Molecular FormulaC16H18N6O3S
Molecular Weight374.43 g/mol
Exact Mass374.12
IUPAC Name2-[(Z)-1-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]indol-3-yl]ethylideneamino]guanidine
SMILESC/C(=N/N=C(N)N)c1cn(S(=O)(=O)c2c(C)noc2C)c2ccccc12
InChIInChI=1S/C16H18N6O3S/c1-9(19-20-16(17)18)13-8-22(14-7-5-4-6-12(13)14)26(23,24)15-10(2)21-25-11(15)3/h4-8H,1-3H3,(H4,17,18,20)/b19-9-
InChIKeyXZZYDHKPCSEQKH-OCKHKDLRSA-N
XLogP1.48
TPSA141.86 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.43
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

2-[1-[1-(4-aminophenyl)sulfonylindol-3-yl]ethylideneamino]guanidine
CID 75115720
2-[1-[1-(2-nitrophenyl)sulfonylindol-3-yl]ethylideneamino]guanidine
CID 85088396
[5-bromo-1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]indol-3-yl]methanol
CID 69193545
2-[1-[1-(benzenesulfonyl)-5-cyanoindol-3-yl]ethylideneamino]guanidine
CID 85134514
4-[5-bromo-3-(chloromethyl)indol-1-yl]sulfonyl-3,5-dimethyl-1,2-oxazole
CID 69182914
2-[(Z)-1-[5-chloro-1-(4-methoxyphenyl)sulfonylindol-3-yl]ethylideneamino]guanidine
CID 10070727
2-[1-[5-chloro-1-(4-methoxyphenyl)sulfonylindol-3-yl]ethylideneamino]guanidine
CID 87970617
2-[(E)-[cyclopropyl-[1-(3,4-dimethoxyphenyl)sulfonylindol-3-yl]methylidene]amino]guanidine
CID 22394667
2-[(E)-1-(1-naphthalen-2-ylsulfonylindol-3-yl)pentylideneamino]guanidine
CID 87969673
4-[3-(chloromethyl)-5-nitroindol-1-yl]sulfonyl-3,5-dimethyl-1,2-oxazole
CID 69184352
4-[4-(benzenesulfonyl)piperazin-1-yl]sulfonyl-3,5-dimethyl-1,2-oxazole
CID 26545041
N-[(E)-1-[1-(4-methylphenyl)sulfonylindol-3-yl]ethylideneamino]benzamide
CID 146000657

Frequently Asked Questions

What is the IUPAC name of 2-[(Z)-1-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]indol-3-yl]ethylideneamino]guanidine?
The IUPAC name of 2-[(Z)-1-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]indol-3-yl]ethylideneamino]guanidine (CID 10474545) is 2-[(Z)-1-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]indol-3-yl]ethylideneamino]guanidine.
What is the SMILES notation for 2-[(Z)-1-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]indol-3-yl]ethylideneamino]guanidine?
The canonical SMILES for 2-[(Z)-1-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]indol-3-yl]ethylideneamino]guanidine is C/C(=N/N=C(N)N)c1cn(S(=O)(=O)c2c(C)noc2C)c2ccccc12.
What is the InChIKey of 2-[(Z)-1-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]indol-3-yl]ethylideneamino]guanidine?
The InChIKey is XZZYDHKPCSEQKH-OCKHKDLRSA-N. The full InChI is InChI=1S/C16H18N6O3S/c1-9(19-20-16(17)18)13-8-22(14-7-5-4-6-12(13)14)26(23,24)15-10(2)21-25-11(15)3/h4-8H,1-3H3,(H4,17,18,20)/b19-9-.
What are the key properties of 2-[(Z)-1-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]indol-3-yl]ethylideneamino]guanidine?
2-[(Z)-1-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]indol-3-yl]ethylideneamino]guanidine has a molecular weight of 374.43 g/mol, XLogP of 1.48, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(Z)-1-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]indol-3-yl]ethylideneamino]guanidine is sourced from PubChem (CID 10474545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).