2-(2-methylsulfanyl-4-sulfanylidenequinazolin-3-yl)guanidine

C10H11N5S2 — CID 12675164

IUPAC2-(2-methylsulfanyl-4-sulfanylidenequinazolin-3-yl)guanidine
SMILESCSc1nc2ccccc2c(=S)n1N=C(N)N
InChIInChI=1S/C10H11N5S2/c1-17-10-13-7-5-3-2-4-6(7)8(16)15(10)14-9(11)12/h2-5H,1H3,(H4,11,12,14)
InChIKeyCBAPPPYIZSKFCU-UHFFFAOYSA-N
MW265.37 g/mol
LogP1.52
Rot. Bonds2

About 2-(2-methylsulfanyl-4-sulfanylidenequinazolin-3-yl)guanidine

2-(2-methylsulfanyl-4-sulfanylidenequinazolin-3-yl)guanidine (PubChem CID 12675164) has the molecular formula C10H11N5S2 and a molecular weight of 265.37 g/mol. Its IUPAC name is 2-(2-methylsulfanyl-4-sulfanylidenequinazolin-3-yl)guanidine.

Molecular Properties

Compound Name2-(2-methylsulfanyl-4-sulfanylidenequinazolin-3-yl)guanidine
PubChem CID12675164
Molecular FormulaC10H11N5S2
Molecular Weight265.37 g/mol
Exact Mass265.05
IUPAC Name2-(2-methylsulfanyl-4-sulfanylidenequinazolin-3-yl)guanidine
SMILESCSc1nc2ccccc2c(=S)n1N=C(N)N
InChIInChI=1S/C10H11N5S2/c1-17-10-13-7-5-3-2-4-6(7)8(16)15(10)14-9(11)12/h2-5H,1H3,(H4,11,12,14)
InChIKeyCBAPPPYIZSKFCU-UHFFFAOYSA-N
XLogP1.52
TPSA82.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.37
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

6-methylsulfanylindolo[1,2-c]quinazoline
CID 15529116
2-methylsulfanylbenzimidazole-1-carboxamide
CID 67564137
2-methylsulfanyl-3-[(E)-[(E)-3-phenylprop-2-enylidene]amino]quinazolin-4-one
CID 10903336
2-(2-methylsulfanyl-4-oxoquinazolin-3-yl)acetic acid
CID 94075132
(2S)-2-(4-oxo-3-propan-2-ylquinazolin-2-yl)sulfanylpropanamide
CID 7427800
2-methylsulfanyl-3-[(E)-(2-oxo-1H-indol-3-ylidene)amino]quinazolin-4-one
CID 135404753
trimethyl-[3-(2-methylsulfanyl-4-oxoquinazolin-3-yl)propyl]azanium
CID 57331409
(2R)-2-[3-[(4-fluorophenyl)methyl]-4-oxoquinazolin-2-yl]sulfanylpropanamide
CID 2618889
3-(4-methoxyphenyl)-2-methylsulfanylquinazolin-4-one
CID 659793
3-(3-methylbutyl)-2-methylsulfanylquinazolin-4-one
CID 84603727
3-[2-(4-methylphenyl)quinolin-4-yl]-5-methylsulfanyl-1,2,4-triazol-4-amine
CID 2101107
methyl 3-(2-methylsulfanyl-4-oxoquinazolin-3-yl)propanoate
CID 9066303

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylsulfanyl-4-sulfanylidenequinazolin-3-yl)guanidine?
The IUPAC name of 2-(2-methylsulfanyl-4-sulfanylidenequinazolin-3-yl)guanidine (CID 12675164) is 2-(2-methylsulfanyl-4-sulfanylidenequinazolin-3-yl)guanidine.
What is the SMILES notation for 2-(2-methylsulfanyl-4-sulfanylidenequinazolin-3-yl)guanidine?
The canonical SMILES for 2-(2-methylsulfanyl-4-sulfanylidenequinazolin-3-yl)guanidine is CSc1nc2ccccc2c(=S)n1N=C(N)N.
What is the InChIKey of 2-(2-methylsulfanyl-4-sulfanylidenequinazolin-3-yl)guanidine?
The InChIKey is CBAPPPYIZSKFCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N5S2/c1-17-10-13-7-5-3-2-4-6(7)8(16)15(10)14-9(11)12/h2-5H,1H3,(H4,11,12,14).
What are the key properties of 2-(2-methylsulfanyl-4-sulfanylidenequinazolin-3-yl)guanidine?
2-(2-methylsulfanyl-4-sulfanylidenequinazolin-3-yl)guanidine has a molecular weight of 265.37 g/mol, XLogP of 1.52, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylsulfanyl-4-sulfanylidenequinazolin-3-yl)guanidine is sourced from PubChem (CID 12675164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).